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

C27H29N5O2 — CID 171544137

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

(3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(methylamino)phenyl]piperidine-1-carboxamide (PubChem CID 171544137) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(methylamino)phenyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(methylamino)phenyl]piperidine-1-carboxamide
• PubChem CID: 171544137
• Molecular Formula: C27H29N5O2
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.23
• IUPAC Name: (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(methylamino)phenyl]piperidine-1-carboxamide
• SMILES: CNc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(OC)c4)c4ccccn34)C2)cc1
• InChI: InChI=1S/C27H29N5O2/c1-28-21-11-13-22(14-12-21)29-27(33)31-15-6-8-20(18-31)26-30-25(24-10-3-4-16-32(24)26)19-7-5-9-23(17-19)34-2/h3-5,7,9-14,16-17,20,28H,6,8,15,18H2,1-2H3,(H,29,33)/t20-/m1/s1
• InChIKey: BNLQYHYKORAIHE-HXUWFJFHSA-N
• XLogP: 5.46
• TPSA: 70.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(methylamino)phenyl]piperidine-1-carboxamide (CID 171544137) is (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(methylamino)phenyl]piperidine-1-carboxamide.

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

The canonical SMILES for (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(methylamino)phenyl]piperidine-1-carboxamide is CNc1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4cccc(OC)c4)c4ccccn34)C2)cc1.

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

The InChIKey is BNLQYHYKORAIHE-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-28-21-11-13-22(14-12-21)29-27(33)31-15-6-8-20(18-31)26-30-25(24-10-3-4-16-32(24)26)19-7-5-9-23(17-19)34-2/h3-5,7,9-14,16-17,20,28H,6,8,15,18H2,1-2H3,(H,29,33)/t20-/m1/s1.

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

(3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(methylamino)phenyl]piperidine-1-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(methylamino)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 171544137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).