(6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

C34H29N3O3 — CID 14403647

IUPAC(6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2c(ncn2C(c2ccccc2)c2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H29N3O3/c38-33(31(24-13-5-1-6-14-24)25-15-7-2-8-16-25)36-22-28-29(21-30(36)34(39)40)37(23-35-28)32(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,23,30-32H,21-22H2,(H,39,40)/t30-/m0/s1
InChIKeyRUIVHQNVXDCNFO-PMERELPUSA-N
MW527.62 g/mol
LogP5.69
Rot. Bonds7

About (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

(6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14403647) has the molecular formula C34H29N3O3 and a molecular weight of 527.62 g/mol. Its IUPAC name is (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID14403647
Molecular FormulaC34H29N3O3
Molecular Weight527.62 g/mol
Exact Mass527.22
IUPAC Name(6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2c(ncn2C(c2ccccc2)c2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H29N3O3/c38-33(31(24-13-5-1-6-14-24)25-15-7-2-8-16-25)36-22-28-29(21-30(36)34(39)40)37(23-35-28)32(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,23,30-32H,21-22H2,(H,39,40)/t30-/m0/s1
InChIKeyRUIVHQNVXDCNFO-PMERELPUSA-N
XLogP5.69
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.62
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14403647) is (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)[C@@H]1Cc2c(ncn2C(c2ccccc2)c2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is RUIVHQNVXDCNFO-PMERELPUSA-N. The full InChI is InChI=1S/C34H29N3O3/c38-33(31(24-13-5-1-6-14-24)25-15-7-2-8-16-25)36-22-28-29(21-30(36)34(39)40)37(23-35-28)32(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,23,30-32H,21-22H2,(H,39,40)/t30-/m0/s1.
What are the key properties of (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
(6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 527.62 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-benzhydryl-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14403647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).