3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide

C23H26N4O2 — CID 109071760

IUPAC3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C(=O)N3CCCCCC3)n3ccccc23)c(C)c1
InChIInChI=1S/C23H26N4O2/c1-16-10-11-18(17(2)15-16)24-22(28)20-19-9-5-8-14-27(19)21(25-20)23(29)26-12-6-3-4-7-13-26/h5,8-11,14-15H,3-4,6-7,12-13H2,1-2H3,(H,24,28)
InChIKeyABYNHEOWUHRFPM-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.22
Rot. Bonds3

About 3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide

3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109071760) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109071760
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C(=O)N3CCCCCC3)n3ccccc23)c(C)c1
InChIInChI=1S/C23H26N4O2/c1-16-10-11-18(17(2)15-16)24-22(28)20-19-9-5-8-14-27(19)21(25-20)23(29)26-12-6-3-4-7-13-26/h5,8-11,14-15H,3-4,6-7,12-13H2,1-2H3,(H,24,28)
InChIKeyABYNHEOWUHRFPM-UHFFFAOYSA-N
XLogP4.22
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2,4-dimethylphenyl)-3-N-(2-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071890
N-(2-chloro-4,6-dimethylphenyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068119
3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071771
1-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071966
N-(5-methyl-1,2-oxazol-3-yl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068154
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
N-tert-butyl-3-(piperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068496
3-(azepane-1-carbonyl)-N-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071776
N-(2,5-dimethylphenyl)-1-(4-methylpiperazine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109069909
3-N-cyclohexyl-1-N-(2,5-dimethylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068666
3-N-butyl-1-N-(2,4-dimethylphenyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071529

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109071760) is 3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide is Cc1ccc(NC(=O)c2nc(C(=O)N3CCCCCC3)n3ccccc23)c(C)c1.
What is the InChIKey of 3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is ABYNHEOWUHRFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-10-11-18(17(2)15-16)24-22(28)20-19-9-5-8-14-27(19)21(25-20)23(29)26-12-6-3-4-7-13-26/h5,8-11,14-15H,3-4,6-7,12-13H2,1-2H3,(H,24,28).
What are the key properties of 3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.22, 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-(2,4-dimethylphenyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109071760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).