Cas no 16767-40-1 (7H-Pyrrolo[2,3-c]pyridazine)

7H-Pyrrolo[2,3-c]pyridazine is a heterocyclic compound featuring a fused pyrrole and pyridazine ring system, which serves as a versatile scaffold in medicinal chemistry and material science. Its unique structure enables diverse functionalization, making it valuable for the synthesis of biologically active molecules, particularly in the development of kinase inhibitors and other pharmacophores. The compound's rigid bicyclic framework contributes to enhanced binding affinity and selectivity in target interactions. Additionally, its synthetic adaptability allows for efficient derivatization, facilitating structure-activity relationship (SAR) studies. This makes 7H-Pyrrolo[2,3-c]pyridazine a promising intermediate for drug discovery and the design of novel therapeutic agents.
7H-Pyrrolo[2,3-c]pyridazine structure
7H-Pyrrolo[2,3-c]pyridazine structure
Product Name:7H-Pyrrolo[2,3-c]pyridazine
CAS No:16767-40-1
MF:C6H5N3
MW:119.124000310898
MDL:MFCD11110436
CID:1027858
PubChem ID:11513740
Update Time:2025-06-08

7H-Pyrrolo[2,3-c]pyridazine Chemical and Physical Properties

Names and Identifiers

    • 7H-Pyrrolo[2,3-c]pyridazine
    • 1-Boc-piperidine-4-ylpropionic acid
    • 3-Amino-4-methyl-pyridazine
    • 4-methyl-3,4-dihydro-2H-1,4-benzoxazine -7-carboxylic caid
    • AGN-PC-00AMZY
    • AK-63155
    • ANW-71901
    • CTK8C4428
    • PB17814
    • SureCN1359782
    • SureCN329804
    • pyrrolo[2,3-c]pyridazine
    • BXOVRVJPVVRHKP-UHFFFAOYSA-N
    • FCH889047
    • 8552AA
    • AX8164620
    • SCHEMBL329804
    • CS-0018959
    • EN300-255208
    • Z1198313815
    • DS-15190
    • P11077
    • SY116259
    • A882229
    • DTXSID30467809
    • AKOS006307944
    • 16767-40-1
    • MFCD11110436
    • DB-064654
    • MDL: MFCD11110436
    • Inchi: 1S/C6H5N3/c1-3-7-6-5(1)2-4-8-9-6/h1-4H,(H,7,9)
    • InChI Key: BXOVRVJPVVRHKP-UHFFFAOYSA-N
    • SMILES: N1C=CC2=CC=NN=C12

Computed Properties

  • Exact Mass: 119.04800
  • Monoisotopic Mass: 119.048347172g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 105
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.6
  • XLogP3: 0.3

Experimental Properties

  • PSA: 41.57000
  • LogP: 0.95790

7H-Pyrrolo[2,3-c]pyridazine Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 7H-Pyrrolo[2,3-c]pyridazine

Introduction to 7H-Pyrrolo[2,3-c]pyridazine (CAS No. 16767-40-1)

7H-Pyrrolo[2,3-c]pyridazine, identified by the Chemical Abstracts Service Number (CAS No.) 16767-40-1, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to the pyrrolopyridazine class, a structural motif known for its versatile biological activities and potential therapeutic applications. The unique arrangement of nitrogen atoms in its molecular framework imparts distinct electronic and steric properties, making it a valuable scaffold for drug discovery and development.

The molecular structure of 7H-Pyrrolo[2,3-c]pyridazine consists of a fused ring system comprising a pyrrole ring and a pyridazine ring. This configuration creates a rigid bicyclic core that can interact with biological targets in a highly specific manner. The presence of nitrogen atoms at multiple positions within the molecule allows for various functionalization strategies, enabling chemists to modify its pharmacological profile to suit specific therapeutic needs.

In recent years, there has been growing interest in exploring the pharmacological potential of 7H-Pyrrolo[2,3-c]pyridazine and its derivatives. Researchers have been particularly intrigued by its ability to modulate enzyme activity and receptor binding. Preliminary studies suggest that this compound may exhibit inhibitory effects on certain kinases and other enzymes implicated in inflammatory and metabolic disorders. The structural features of 7H-Pyrrolo[2,3-c]pyridazine make it an attractive candidate for further investigation into its role as a lead compound for novel therapeutics.

One of the most compelling aspects of 7H-Pyrrolo[2,3-c]pyridazine is its potential as a building block for more complex drug molecules. By incorporating this scaffold into larger structures, chemists can exploit its inherent biological activity while also introducing additional functional groups to enhance potency, selectivity, and pharmacokinetic properties. This approach has been successfully employed in the development of several high-profile pharmaceutical agents.

The synthesis of 7H-Pyrrolo[2,3-c]pyridazine (CAS No. 16767-40-1) involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Common synthetic routes include cyclization reactions followed by functional group interconversions. Advances in synthetic methodologies have enabled more efficient production processes, making it feasible to scale up synthesis for both research and industrial purposes.

Recent advances in computational chemistry have also played a crucial role in understanding the behavior of 7H-Pyrrolo[2,3-c]pyridazine at the molecular level. Molecular modeling studies have provided insights into its interactions with biological targets, helping researchers predict potential side effects and optimize drug design. These computational approaches are complemented by experimental validations, ensuring a robust understanding of the compound's pharmacological properties.

In the realm of medicinal chemistry, derivatives of 7H-Pyrrolo[2,3-c]pyridazine have been explored for their potential applications in treating neurological disorders, cancer, and infectious diseases. For instance, certain analogs have shown promise in preclinical studies as inhibitors of protein-protein interactions critical for disease pathogenesis. The ability to fine-tune the structure-activity relationship (SAR) within this scaffold allows for the development of highly targeted therapies.

The chemical diversity inherent in 7H-Pyrrolo[2,3-c]pyridazine derivatives has also spurred interest in their use as probes for fundamental biological research. By studying how these compounds interact with cellular machinery, scientists can gain deeper insights into disease mechanisms and identify new therapeutic opportunities. This interdisciplinary approach bridges chemistry with biology, fostering innovation across multiple scientific domains.

As research continues to uncover new applications for 7H-Pyrrolo[2,3-c]pyridazine (CAS No. 16767-40-1), it is clear that this compound represents more than just a chemical curiosity. Its unique structural features and biological potential position it as a cornerstone in modern drug discovery efforts. Future studies are likely to focus on expanding its chemical toolbox through innovative synthetic strategies and exploring its therapeutic relevance in greater detail.

The growing body of literature on 7H-Pyrrolo[2,3-c]pyridazine underscores its significance as a pharmacophore in medicinal chemistry. By leveraging its structural advantages and combining them with cutting-edge research techniques, scientists are paving the way for next-generation pharmaceuticals that address unmet medical needs with unprecedented precision.

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