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

C21H23N5O2 — CID 109070651

IUPAC3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCc1cccnc1)c1nc(C(=O)N2CCCCCC2)n2ccccc12
InChIInChI=1S/C21H23N5O2/c27-20(23-15-16-8-7-10-22-14-16)18-17-9-3-6-13-26(17)19(24-18)21(28)25-11-4-1-2-5-12-25/h3,6-10,13-14H,1-2,4-5,11-12,15H2,(H,23,27)
InChIKeyLEBZCVWMZNSFCM-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.68
Rot. Bonds4

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

3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109070651) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109070651
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCc1cccnc1)c1nc(C(=O)N2CCCCCC2)n2ccccc12
InChIInChI=1S/C21H23N5O2/c27-20(23-15-16-8-7-10-22-14-16)18-17-9-3-6-13-26(17)19(24-18)21(28)25-11-4-1-2-5-12-25/h3,6-10,13-14H,1-2,4-5,11-12,15H2,(H,23,27)
InChIKeyLEBZCVWMZNSFCM-UHFFFAOYSA-N
XLogP2.68
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(piperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109068386
N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109067927
3-(4-formylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070069
3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070267
1-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070682
N-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068073
1-N-butyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067153
1-N-pentyl-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070680
3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070021
3-pyridin-3-yl-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 69004411
1-N-(2-fluorophenyl)-3-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070701
3-N-butyl-3-N-methyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070647

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109070651) is 3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide is O=C(NCc1cccnc1)c1nc(C(=O)N2CCCCCC2)n2ccccc12.
What is the InChIKey of 3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is LEBZCVWMZNSFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20(23-15-16-8-7-10-22-14-16)18-17-9-3-6-13-26(17)19(24-18)21(28)25-11-4-1-2-5-12-25/h3,6-10,13-14H,1-2,4-5,11-12,15H2,(H,23,27).
What are the key properties of 3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.68, 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-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109070651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).