N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide

C28H28N4O3 — CID 24737653

About N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide

N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide (PubChem CID 24737653) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide
• PubChem CID: 24737653
• Molecular Formula: C28H28N4O3
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.22
• IUPAC Name: N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide
• SMILES: COc1cccc(-c2nc(C3CCCN(C(=O)Nc4ccc5c(c4)CCO5)C3)c3ccccn23)c1
• InChI: InChI=1S/C28H28N4O3/c1-34-23-8-4-6-20(17-23)27-30-26(24-9-2-3-14-32(24)27)21-7-5-13-31(18-21)28(33)29-22-10-11-25-19(16-22)12-15-35-25/h2-4,6,8-11,14,16-17,21H,5,7,12-13,15,18H2,1H3,(H,29,33)
• InChIKey: UPWUILRQNTZKED-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.56
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide?

The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide (CID 24737653) is N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide is COc1cccc(-c2nc(C3CCCN(C(=O)Nc4ccc5c(c4)CCO5)C3)c3ccccn23)c1.

What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide?

The InChIKey is UPWUILRQNTZKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-34-23-8-4-6-20(17-23)27-30-26(24-9-2-3-14-32(24)27)21-7-5-13-31(18-21)28(33)29-22-10-11-25-19(16-22)12-15-35-25/h2-4,6,8-11,14,16-17,21H,5,7,12-13,15,18H2,1H3,(H,29,33).

What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide?

N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 24737653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).