3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C23H30N4O2 — CID 109076293

About 3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109076293) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 109076293
• Molecular Formula: C23H30N4O2
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.24
• IUPAC Name: 3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CC(NC(=O)c1nc(C(=O)N2CCCCCC2)n2c1CCCC2)c1ccccc1
• InChI: InChI=1S/C23H30N4O2/c1-17(18-11-5-4-6-12-18)24-22(28)20-19-13-7-10-16-27(19)21(25-20)23(29)26-14-8-2-3-9-15-26/h4-6,11-12,17H,2-3,7-10,13-16H2,1H3,(H,24,28)
• InChIKey: QRSYOBVUPCBPBM-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of 3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109076293) is 3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for 3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for 3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CC(NC(=O)c1nc(C(=O)N2CCCCCC2)n2c1CCCC2)c1ccccc1.

What is the InChIKey of 3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is QRSYOBVUPCBPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17(18-11-5-4-6-12-18)24-22(28)20-19-13-7-10-16-27(19)21(25-20)23(29)26-14-8-2-3-9-15-26/h4-6,11-12,17H,2-3,7-10,13-16H2,1H3,(H,24,28).

What are the key properties of 3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.73, 4 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-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109076293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).