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

C33H33N5O — CID 171544249

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

(3R)-N-[4-(dimethylamino)phenyl]-3-[1-(4-phenylphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 171544249) has the molecular formula C33H33N5O and a molecular weight of 515.66 g/mol. Its IUPAC name is (3R)-N-[4-(dimethylamino)phenyl]-3-[1-(4-phenylphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[4-(dimethylamino)phenyl]-3-[1-(4-phenylphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
• PubChem CID: 171544249
• Molecular Formula: C33H33N5O
• Molecular Weight: 515.66 g/mol
• Exact Mass: 515.27
• IUPAC Name: (3R)-N-[4-(dimethylamino)phenyl]-3-[1-(4-phenylphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
• SMILES: CN(C)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccn34)C2)cc1
• InChI: InChI=1S/C33H33N5O/c1-36(2)29-19-17-28(18-20-29)34-33(39)37-21-8-11-27(23-37)32-35-31(30-12-6-7-22-38(30)32)26-15-13-25(14-16-26)24-9-4-3-5-10-24/h3-7,9-10,12-20,22,27H,8,11,21,23H2,1-2H3,(H,34,39)/t27-/m1/s1
• InChIKey: BRIFJNXWAIBWDN-HHHXNRCGSA-N
• XLogP: 7.15
• TPSA: 52.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.66
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-(dimethylamino)phenyl]-3-[1-(4-phenylphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide?

The IUPAC name of (3R)-N-[4-(dimethylamino)phenyl]-3-[1-(4-phenylphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (CID 171544249) is (3R)-N-[4-(dimethylamino)phenyl]-3-[1-(4-phenylphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.

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

The canonical SMILES for (3R)-N-[4-(dimethylamino)phenyl]-3-[1-(4-phenylphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is CN(C)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc(-c5ccccc5)cc4)c4ccccn34)C2)cc1.

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

The InChIKey is BRIFJNXWAIBWDN-HHHXNRCGSA-N. The full InChI is InChI=1S/C33H33N5O/c1-36(2)29-19-17-28(18-20-29)34-33(39)37-21-8-11-27(23-37)32-35-31(30-12-6-7-22-38(30)32)26-15-13-25(14-16-26)24-9-4-3-5-10-24/h3-7,9-10,12-20,22,27H,8,11,21,23H2,1-2H3,(H,34,39)/t27-/m1/s1.

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

(3R)-N-[4-(dimethylamino)phenyl]-3-[1-(4-phenylphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 7.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[4-(dimethylamino)phenyl]-3-[1-(4-phenylphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 171544249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).