3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide

C21H21ClN4O2 — CID 109071771

IUPAC3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1nc(C(=O)N2CCCCCC2)n2ccccc12
InChIInChI=1S/C21H21ClN4O2/c22-15-9-3-4-10-16(15)23-20(27)18-17-11-5-8-14-26(17)19(24-18)21(28)25-12-6-1-2-7-13-25/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,23,27)
InChIKeyORASTHFZIDVFKR-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.26
Rot. Bonds3

About 3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide

3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109071771) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109071771
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1nc(C(=O)N2CCCCCC2)n2ccccc12
InChIInChI=1S/C21H21ClN4O2/c22-15-9-3-4-10-16(15)23-20(27)18-17-11-5-8-14-26(17)19(24-18)21(28)25-12-6-1-2-7-13-25/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,23,27)
InChIKeyORASTHFZIDVFKR-UHFFFAOYSA-N
XLogP4.26
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109068137
N-(2-ethoxyphenyl)-3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068537
3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071760
N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068119
3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071776
N-tert-butyl-3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068496
N-(5-methyl-1,2-oxazol-3-yl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068154
[3-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-piperidin-1-ylmethanone
CID 109068367
3-(4-ethylpiperazine-1-carbonyl)-N-(2-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070037
1-[4-[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]piperazin-1-yl]ethanone
CID 109068040
3-N-(2-chlorophenyl)-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066897
N-(2-chlorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094857

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109071771) is 3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide is O=C(Nc1ccccc1Cl)c1nc(C(=O)N2CCCCCC2)n2ccccc12.
What is the InChIKey of 3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is ORASTHFZIDVFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-15-9-3-4-10-16(15)23-20(27)18-17-11-5-8-14-26(17)19(24-18)21(28)25-12-6-1-2-7-13-25/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,23,27).
What are the key properties of 3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109071771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).