3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide

C22H24N4O3 — CID 109071776

IUPAC3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(C(=O)N3CCCCCC3)n3ccccc23)cc1
InChIInChI=1S/C22H24N4O3/c1-29-17-11-9-16(10-12-17)23-21(27)19-18-8-4-7-15-26(18)20(24-19)22(28)25-13-5-2-3-6-14-25/h4,7-12,15H,2-3,5-6,13-14H2,1H3,(H,23,27)
InChIKeyBMJCBYNYQSJELM-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.61
Rot. Bonds4

About 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide

3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109071776) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109071776
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(C(=O)N3CCCCCC3)n3ccccc23)cc1
InChIInChI=1S/C22H24N4O3/c1-29-17-11-9-16(10-12-17)23-21(27)19-18-8-4-7-15-26(18)20(24-19)22(28)25-13-5-2-3-6-14-25/h4,7-12,15H,2-3,5-6,13-14H2,1H3,(H,23,27)
InChIKeyBMJCBYNYQSJELM-UHFFFAOYSA-N
XLogP3.61
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068814
methyl 2-[[3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carbonyl]amino]benzoate
CID 109068137
3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071771
1-N-cyclohexyl-3-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068614
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-formylpiperazine-1-carbonyl)-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070084
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-[4-(dimethylamino)phenyl]-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068010
N-(4-ethylphenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068805
3-N-(4-methoxyphenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065963

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109071776) is 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide is COc1ccc(NC(=O)c2nc(C(=O)N3CCCCCC3)n3ccccc23)cc1.
What is the InChIKey of 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is BMJCBYNYQSJELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-29-17-11-9-16(10-12-17)23-21(27)19-18-8-4-7-15-26(18)20(24-19)22(28)25-13-5-2-3-6-14-25/h4,7-12,15H,2-3,5-6,13-14H2,1H3,(H,23,27).
What are the key properties of 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109071776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).