(6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

C29H33N3O4 — CID 14403504

IUPAC(6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)C2CCCC2)C3)cc1C
InChIInChI=1S/C29H33N3O4/c1-19-14-20(12-13-26(19)36-2)16-31-18-30-23-17-32(25(29(34)35)15-24(23)31)28(33)27(22-10-6-7-11-22)21-8-4-3-5-9-21/h3-5,8-9,12-14,18,22,25,27H,6-7,10-11,15-17H2,1-2H3,(H,34,35)/t25-,27?/m0/s1
InChIKeyUXUCAHGKRZXKNY-PVCWFJFTSA-N
MW487.60 g/mol
LogP4.56
Rot. Bonds7

About (6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

(6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14403504) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is (6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID14403504
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name(6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCOc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)C2CCCC2)C3)cc1C
InChIInChI=1S/C29H33N3O4/c1-19-14-20(12-13-26(19)36-2)16-31-18-30-23-17-32(25(29(34)35)15-24(23)31)28(33)27(22-10-6-7-11-22)21-8-4-3-5-9-21/h3-5,8-9,12-14,18,22,25,27H,6-7,10-11,15-17H2,1-2H3,(H,34,35)/t25-,27?/m0/s1
InChIKeyUXUCAHGKRZXKNY-PVCWFJFTSA-N
XLogP4.56
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-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)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14403504) is (6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is COc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)C2CCCC2)C3)cc1C.
What is the InChIKey of (6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is UXUCAHGKRZXKNY-PVCWFJFTSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-19-14-20(12-13-26(19)36-2)16-31-18-30-23-17-32(25(29(34)35)15-24(23)31)28(33)27(22-10-6-7-11-22)21-8-4-3-5-9-21/h3-5,8-9,12-14,18,22,25,27H,6-7,10-11,15-17H2,1-2H3,(H,34,35)/t25-,27?/m0/s1.
What are the key properties of (6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
(6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 487.60 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-(2-cyclopentyl-2-phenylacetyl)-1-[(4-methoxy-3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14403504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).