- Preparation of indazole and benzoisothiazole derivatives and related heteroanalogs for use in treating diseases associated with nicotinic acetylcholine receptors, World Intellectual Property Organization, , ,
Cas no 936923-48-7 (N-(1-Methylethyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide)
![N-(1-Methylethyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide structure](https://ossimg.kuujia.com/scimg/937000/936923-48-7x500.png)
936923-48-7 structure
Product Name:N-(1-Methylethyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CAS No:936923-48-7
MF:C10H12N4O
MW:204.228481292725
CID:5689688
PubChem ID:108474832
Update Time:2023-10-12
N-(1-Methylethyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide Chemical and Physical Properties
Names and Identifiers
-
- N-(1-Methylethyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
- DTXSID101192392
- 936923-48-7
- 1H-Pyrazolo[4,3-c]pyridine-3-carboxamide, N-(1-methylethyl)-
-
- Inchi： 1S/C10H12N4O/c1-6(2)12-10(15)9-7-5-11-4-3-8(7)13-14-9/h3-6H,1-2H3,(H,12,15)(H,13,14)
- InChI Key： OKXOFJBCTIQXJR-UHFFFAOYSA-N
- SMILES： O=C(C1C2C=NC=CC=2NN=1)NC(C)C
Computed Properties
- Exact Mass: 204.10111102g/mol
- Monoisotopic Mass: 204.10111102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 244
- 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: 0.9
- Topological Polar Surface Area: 70.7?2
Experimental Properties
- Density: 1.260±0.06 g/cm3(Predicted)
- Boiling Point: 507.8±30.0 °C(Predicted)
- pka: 10.15±0.40(Predicted)
N-(1-Methylethyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water ; 10 min, 120 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ; neutralized
1.2 Reagents: Sodium hydroxide Solvents: Water ; neutralized
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water ; 10 min, 120 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ; neutralized
1.2 Reagents: Sodium hydroxide Solvents: Water ; neutralized
Reference
- Preparation of azabicyclic derivatives of indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines for therapeutic use as α7-nACh receptor activators, World Intellectual Property Organization, , ,
N-(1-Methylethyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide Raw materials
N-(1-Methylethyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide Preparation Products
N-(1-Methylethyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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