(3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide

C28H31N5O2 — CID 171544276

About (3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide

(3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 171544276) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is (3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
• PubChem CID: 171544276
• Molecular Formula: C28H31N5O2
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.25
• IUPAC Name: (3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide
• SMILES: COc1cccc(-c2nc([C@@H]3CCCN(C(=O)Nc4ccccc4N(C)C)C3)n3ccccc23)c1
• InChI: InChI=1S/C28H31N5O2/c1-31(2)24-14-5-4-13-23(24)29-28(34)32-16-9-11-21(19-32)27-30-26(25-15-6-7-17-33(25)27)20-10-8-12-22(18-20)35-3/h4-8,10,12-15,17-18,21H,9,11,16,19H2,1-3H3,(H,29,34)/t21-/m1/s1
• InChIKey: JVQIHNXPEYZNCA-OAQYLSRUSA-N
• XLogP: 5.49
• TPSA: 62.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide (CID 171544276) is (3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide.

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

The canonical SMILES for (3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is COc1cccc(-c2nc([C@@H]3CCCN(C(=O)Nc4ccccc4N(C)C)C3)n3ccccc23)c1.

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

The InChIKey is JVQIHNXPEYZNCA-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-31(2)24-14-5-4-13-23(24)29-28(34)32-16-9-11-21(19-32)27-30-26(25-15-6-7-17-33(25)27)20-10-8-12-22(18-20)35-3/h4-8,10,12-15,17-18,21H,9,11,16,19H2,1-3H3,(H,29,34)/t21-/m1/s1.

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

(3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[2-(dimethylamino)phenyl]-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 171544276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).