3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride

C19H18ClN7O — CID 67123800

IUPAC3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccn2ncc(-c3ccc4[nH]c(=O)n(C5CCCNC5)c4n3)c2c1
InChIInChI=1S/C19H17N7O.ClH/c20-9-12-5-7-25-17(8-12)14(11-22-25)15-3-4-16-18(23-15)26(19(27)24-16)13-2-1-6-21-10-13;/h3-5,7-8,11,13,21H,1-2,6,10H2,(H,24,27);1H
InChIKeyNTLMMQMAFOJCMX-UHFFFAOYSA-N
MW395.85 g/mol
LogP2.26
Rot. Bonds2

About 3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride

3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride (PubChem CID 67123800) has the molecular formula C19H18ClN7O and a molecular weight of 395.85 g/mol. Its IUPAC name is 3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride
PubChem CID67123800
Molecular FormulaC19H18ClN7O
Molecular Weight395.85 g/mol
Exact Mass395.13
IUPAC Name3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1ccn2ncc(-c3ccc4[nH]c(=O)n(C5CCCNC5)c4n3)c2c1
InChIInChI=1S/C19H17N7O.ClH/c20-9-12-5-7-25-17(8-12)14(11-22-25)15-3-4-16-18(23-15)26(19(27)24-16)13-2-1-6-21-10-13;/h3-5,7-8,11,13,21H,1-2,6,10H2,(H,24,27);1H
InChIKeyNTLMMQMAFOJCMX-UHFFFAOYSA-N
XLogP2.26
TPSA103.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123546
3-[9-[(1R,3R)-3-hydroxycyclohexyl]-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123912
3-[9-[(3S)-1-acetylpiperidin-3-yl]-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67124097
3-[8-oxo-9-(1-propylsulfonylpiperidin-3-yl)-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123574
3-[7-methyl-8-oxo-9-[(3S)-pyrrolidin-3-yl]purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123682
cyclohexanol;3-[2-(1,4-diazepan-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 144532727
3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123718
3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol
CID 144532733
2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one
CID 144532715
3-(6-piperidin-3-yl-2-pyridinyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridine
CID 175682020
3-[9-(oxepan-4-yl)-8-oxo-7H-purin-2-yl]benzimidazole-5-carbonitrile
CID 59846346
3-[(3R)-piperidin-3-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one;dihydrochloride
CID 67277965

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride?
The IUPAC name of 3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride (CID 67123800) is 3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride.
What is the SMILES notation for 3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride?
The canonical SMILES for 3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride is Cl.N#Cc1ccn2ncc(-c3ccc4[nH]c(=O)n(C5CCCNC5)c4n3)c2c1.
What is the InChIKey of 3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride?
The InChIKey is NTLMMQMAFOJCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O.ClH/c20-9-12-5-7-25-17(8-12)14(11-22-25)15-3-4-16-18(23-15)26(19(27)24-16)13-2-1-6-21-10-13;/h3-5,7-8,11,13,21H,1-2,6,10H2,(H,24,27);1H.
What are the key properties of 3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride?
3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride has a molecular weight of 395.85 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride is sourced from PubChem (CID 67123800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).