3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C22H27FN4O2 — CID 109076350

About 3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109076350) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 109076350
• Molecular Formula: C22H27FN4O2
• Molecular Weight: 398.48 g/mol
• Exact Mass: 398.21
• IUPAC Name: 3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1)c1nc(C(=O)N2CCCCCC2)n2c1CCCC2
• InChI: InChI=1S/C22H27FN4O2/c23-17-10-8-16(9-11-17)15-24-21(28)19-18-7-3-6-14-27(18)20(25-19)22(29)26-12-4-1-2-5-13-26/h8-11H,1-7,12-15H2,(H,24,28)
• InChIKey: KYOPYIQZGUGSGW-UHFFFAOYSA-N
• XLogP: 3.30
• 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	398.48
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of 3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109076350) is 3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for 3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for 3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is O=C(NCc1ccc(F)cc1)c1nc(C(=O)N2CCCCCC2)n2c1CCCC2.

What is the InChIKey of 3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is KYOPYIQZGUGSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c23-17-10-8-16(9-11-17)15-24-21(28)19-18-7-3-6-14-27(18)20(25-19)22(29)26-12-4-1-2-5-13-26/h8-11H,1-7,12-15H2,(H,24,28).

What are the key properties of 3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

3-(azepane-1-carbonyl)-N-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.30, 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-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109076350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).