(3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide

C30H33N5O — CID 171543973

About (3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide

(3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide (PubChem CID 171543973) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is (3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide
• PubChem CID: 171543973
• Molecular Formula: C30H33N5O
• Molecular Weight: 479.63 g/mol
• Exact Mass: 479.27
• IUPAC Name: (3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide
• SMILES: CN(C)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc5c(c4)CCC5)c4ccccn34)C2)cc1
• InChI: InChI=1S/C30H33N5O/c1-33(2)26-15-13-25(14-16-26)31-30(36)34-17-6-9-24(20-34)29-32-28(27-10-3-4-18-35(27)29)23-12-11-21-7-5-8-22(21)19-23/h3-4,10-16,18-19,24H,5-9,17,20H2,1-2H3,(H,31,36)/t24-/m1/s1
• InChIKey: DRLLNADVJXMEAX-XMMPIXPASA-N
• XLogP: 5.97
• TPSA: 52.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.63
LogP ≤ 5	5.97
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)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide?

The IUPAC name of (3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide (CID 171543973) is (3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide.

What is the SMILES notation for (3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide?

The canonical SMILES for (3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide is CN(C)c1ccc(NC(=O)N2CCC[C@@H](c3nc(-c4ccc5c(c4)CCC5)c4ccccn34)C2)cc1.

What is the InChIKey of (3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide?

The InChIKey is DRLLNADVJXMEAX-XMMPIXPASA-N. The full InChI is InChI=1S/C30H33N5O/c1-33(2)26-15-13-25(14-16-26)31-30(36)34-17-6-9-24(20-34)29-32-28(27-10-3-4-18-35(27)29)23-12-11-21-7-5-8-22(21)19-23/h3-4,10-16,18-19,24H,5-9,17,20H2,1-2H3,(H,31,36)/t24-/m1/s1.

What are the key properties of (3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide?

(3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[1-(2,3-dihydro-1H-inden-5-yl)imidazo[1,5-a]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 171543973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).