N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C20H19N7O2S — CID 166621788

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)N2CCc3c(C(=O)NCc4cnc5ccccn45)n[nH]c3C2)s1
InChIInChI=1S/C20H19N7O2S/c1-12-21-10-16(30-12)20(29)26-7-5-14-15(11-26)24-25-18(14)19(28)23-9-13-8-22-17-4-2-3-6-27(13)17/h2-4,6,8,10H,5,7,9,11H2,1H3,(H,23,28)(H,24,25)
InChIKeyZFAZPFFUBNEASR-UHFFFAOYSA-N
MW421.49 g/mol
LogP1.95
Rot. Bonds4

About N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166621788) has the molecular formula C20H19N7O2S and a molecular weight of 421.49 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166621788
Molecular FormulaC20H19N7O2S
Molecular Weight421.49 g/mol
Exact Mass421.13
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)N2CCc3c(C(=O)NCc4cnc5ccccn45)n[nH]c3C2)s1
InChIInChI=1S/C20H19N7O2S/c1-12-21-10-16(30-12)20(29)26-7-5-14-15(11-26)24-25-18(14)19(28)23-9-13-8-22-17-4-2-3-6-27(13)17/h2-4,6,8,10H,5,7,9,11H2,1H3,(H,23,28)(H,24,25)
InChIKeyZFAZPFFUBNEASR-UHFFFAOYSA-N
XLogP1.95
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171709657
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71705183
N-(2-hydroxyethyl)-6-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166619238
6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166618191
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166618296
N-[(2-chlorophenyl)methyl]-6-(2-ethoxyacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166619239
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110630950
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(pyridine-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166613110
5-(3-chlorobenzoyl)-N-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914428
6-(dimethylsulfamoyl)-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166623688
5-(2-fluorobenzoyl)-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
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CID 90571752

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166621788) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1ncc(C(=O)N2CCc3c(C(=O)NCc4cnc5ccccn45)n[nH]c3C2)s1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is ZFAZPFFUBNEASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2S/c1-12-21-10-16(30-12)20(29)26-7-5-14-15(11-26)24-25-18(14)19(28)23-9-13-8-22-17-4-2-3-6-27(13)17/h2-4,6,8,10H,5,7,9,11H2,1H3,(H,23,28)(H,24,25).
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 421.49 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166621788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).