Cas no 875634-01-8 (3-Pyridinecarboxamide,5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-)

3-Pyridinecarboxamide,5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl- is a heterocyclic compound featuring a pyridine core fused with a pyrrolopyridine moiety and a substituted phenyl group. Its structural complexity makes it a valuable intermediate in medicinal chemistry, particularly for the development of kinase inhibitors and other biologically active molecules. The presence of a dimethylcarboxamide group enhances solubility and potential binding affinity, while the methoxyphenyl substitution may influence pharmacokinetic properties. This compound is suited for research applications in drug discovery, offering a versatile scaffold for further functionalization. High purity and well-characterized synthesis pathways ensure reliability for experimental use.
3-Pyridinecarboxamide,5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl- structure
875634-01-8 structure
Product Name:3-Pyridinecarboxamide,5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-
CAS No:875634-01-8
MF:C22H20N4O2
MW:372.419804573059
CID:655140
PubChem ID:16750094
Update Time:2025-11-02

3-Pyridinecarboxamide,5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxamide,5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-
    • 5-[3-(2-Methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethy lnicotinamide
    • 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-3-Pyridinecarboxamide
    • PPY A
    • PPY-A
    • 5-[3-(2-Methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-3-pyridinecarboxamide (ACI)
    • HY-12083
    • P3Y
    • GYQRHHQPEMOLKH-UHFFFAOYSA-N
    • 5-[3-(2-Methoxyphenyl)-1h-Pyrrolo[2,3-B]pyridin-5-Yl]-N,N-Dimethylpyridine-3-Carboxamide
    • 2qoh
    • NS00071473
    • GLXC-03541
    • 2z60
    • 5-[3-(2-Methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-nicotinamide
    • SCHEMBL1516718
    • 875634-01-8
    • Q27097566
    • DA-77024
    • DB08350
    • AKOS024458313
    • CHEMBL1235103
    • BDBM81734
    • NCGC00379187-01
    • 3-Pyridinecarboxamide, 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-
    • Inchi： 1S/C22H20N4O2/c1-26(2)22(27)16-8-14(10-23-11-16)15-9-18-19(13-25-21(18)24-12-15)17-6-4-5-7-20(17)28-3/h4-13H,1-3H3,(H,24,25)
    • InChI Key： GYQRHHQPEMOLKH-UHFFFAOYSA-N
    • SMILES： O=C(N(C)C)C1C=C(C2C=C3C(NC=C3C3C(OC)=CC=CC=3)=NC=2)C=NC=1

Computed Properties

  • Exact Mass: 372.15862589g/mol
  • Monoisotopic Mass: 372.15862589g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 543
  • 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
  • XLogP3: 2.9
  • Topological Polar Surface Area: 71.1?2

3-Pyridinecarboxamide,5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl- Pricemore >>

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3-Pyridinecarboxamide,5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium hydroxide Solvents: Methanol ,  1,4-Dioxane ,  Water ;  rt
Reference
Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors
Quach, David; et al, Angewandte Chemie, 2021, 60(31), 17131-17137

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ,  Water ;  7 h, 70 °C
2.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  7 h, 100 °C
3.1 Reagents: Potassium carbonate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ,  Water ;  7 h, 100 °C
3.2 Reagents: Lithium hydroxide Solvents: Methanol ,  1,4-Dioxane ,  Water ;  rt
Reference
Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors
Quach, David; et al, Angewandte Chemie, 2021, 60(31), 17131-17137

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  20 min, 0 °C
1.2 1 h, 0 °C → rt
1.3 Solvents: Water ;  rt
2.1 Reagents: Potassium carbonate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ,  Water ;  7 h, 70 °C
3.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  7 h, 100 °C
4.1 Reagents: Potassium carbonate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ,  Water ;  7 h, 100 °C
4.2 Reagents: Lithium hydroxide Solvents: Methanol ,  1,4-Dioxane ,  Water ;  rt
Reference
Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors
Quach, David; et al, Angewandte Chemie, 2021, 60(31), 17131-17137

Production Method 4

Reaction Conditions
1.1 Reagents: Triethylamine ,  O-(7-Azabenzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium hexafluorophosphate Solvents: Dimethylformamide ;  5 min, rt
1.2 Reagents: Potassium carbonate ;  3 h, rt
2.1 Reagents: Potassium carbonate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ,  Water ;  7 h, 100 °C
2.2 Reagents: Lithium hydroxide Solvents: Methanol ,  1,4-Dioxane ,  Water ;  rt
Reference
Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors
Quach, David; et al, Angewandte Chemie, 2021, 60(31), 17131-17137

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  7 h, 100 °C
2.1 Reagents: Potassium carbonate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ,  Water ;  7 h, 100 °C
2.2 Reagents: Lithium hydroxide Solvents: Methanol ,  1,4-Dioxane ,  Water ;  rt
Reference
Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors
Quach, David; et al, Angewandte Chemie, 2021, 60(31), 17131-17137

Production Method 6

Reaction Conditions
1.1 Reagents: N-Iodosuccinimide Solvents: Acetone ;  1 h, rt
2.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  20 min, 0 °C
2.2 1 h, 0 °C → rt
2.3 Solvents: Water ;  rt
3.1 Reagents: Potassium carbonate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ,  Water ;  7 h, 70 °C
4.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  7 h, 100 °C
5.1 Reagents: Potassium carbonate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ,  Water ;  7 h, 100 °C
5.2 Reagents: Lithium hydroxide Solvents: Methanol ,  1,4-Dioxane ,  Water ;  rt
Reference
Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors
Quach, David; et al, Angewandte Chemie, 2021, 60(31), 17131-17137

3-Pyridinecarboxamide,5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl- Raw materials

3-Pyridinecarboxamide,5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl- Preparation Products

3-Pyridinecarboxamide,5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl- Related Literature

Related Categories

875634-01-8 (3-Pyridinecarboxamide,5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-) Related Products

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