3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide

C29H32N4O2 — CID 24812413

About 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide

3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide (PubChem CID 24812413) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
• PubChem CID: 24812413
• Molecular Formula: C29H32N4O2
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.25
• IUPAC Name: 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
• SMILES: COc1cccc(-c2nc(C3CCCN(C(=O)Nc4ccc(C(C)C)cc4)C3)n3ccccc23)c1
• InChI: InChI=1S/C29H32N4O2/c1-20(2)21-12-14-24(15-13-21)30-29(34)32-16-7-9-23(19-32)28-31-27(26-11-4-5-17-33(26)28)22-8-6-10-25(18-22)35-3/h4-6,8,10-15,17-18,20,23H,7,9,16,19H2,1-3H3,(H,30,34)
• InChIKey: RBSCUGTVQZFVDC-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?

The IUPAC name of 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide (CID 24812413) is 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide.

What is the SMILES notation for 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?

The canonical SMILES for 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide is COc1cccc(-c2nc(C3CCCN(C(=O)Nc4ccc(C(C)C)cc4)C3)n3ccccc23)c1.

What is the InChIKey of 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?

The InChIKey is RBSCUGTVQZFVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-20(2)21-12-14-24(15-13-21)30-29(34)32-16-7-9-23(19-32)28-31-27(26-11-4-5-17-33(26)28)22-8-6-10-25(18-22)35-3/h4-6,8,10-15,17-18,20,23H,7,9,16,19H2,1-3H3,(H,30,34).

What are the key properties of 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?

3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 24812413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).