(3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide

C30H35N5O2 — CID 171544152

About (3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide

(3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 171544152) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is (3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
• PubChem CID: 171544152
• Molecular Formula: C30H35N5O2
• Molecular Weight: 497.64 g/mol
• Exact Mass: 497.28
• IUPAC Name: (3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
• SMILES: CCN(CC)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(OC)c4)c4ccccn34)C2)cc1
• InChI: InChI=1S/C30H35N5O2/c1-4-33(5-2)25-16-14-24(15-17-25)31-30(36)34-18-9-11-23(21-34)29-32-28(27-13-6-7-19-35(27)29)22-10-8-12-26(20-22)37-3/h6-8,10,12-17,19-20,23H,4-5,9,11,18,21H2,1-3H3,(H,31,36)/t23-/m1/s1
• InChIKey: BQKYOCKEMSITNV-HSZRJFAPSA-N
• XLogP: 6.27
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.64
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (CID 171544152) is (3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.

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

The canonical SMILES for (3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is CCN(CC)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(OC)c4)c4ccccn34)C2)cc1.

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

The InChIKey is BQKYOCKEMSITNV-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-4-33(5-2)25-16-14-24(15-17-25)31-30(36)34-18-9-11-23(21-34)29-32-28(27-13-6-7-19-35(27)29)22-10-8-12-26(20-22)37-3/h6-8,10,12-17,19-20,23H,4-5,9,11,18,21H2,1-3H3,(H,31,36)/t23-/m1/s1.

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

(3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[4-(diethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 171544152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).