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

C32H27N3O3 — CID 14403649

IUPAC(6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2c(ncn2Cc2ccc3ccccc3c2)CN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H27N3O3/c36-31(30(24-10-3-1-4-11-24)25-12-5-2-6-13-25)35-20-27-28(18-29(35)32(37)38)34(21-33-27)19-22-15-16-23-9-7-8-14-26(23)17-22/h1-17,21,29-30H,18-20H2,(H,37,38)/t29-/m0/s1
InChIKeyGLPARGIKCOZULH-LJAQVGFWSA-N
MW501.59 g/mol
LogP5.25
Rot. Bonds6

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

(6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14403649) has the molecular formula C32H27N3O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is (6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID14403649
Molecular FormulaC32H27N3O3
Molecular Weight501.59 g/mol
Exact Mass501.21
IUPAC Name(6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2c(ncn2Cc2ccc3ccccc3c2)CN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H27N3O3/c36-31(30(24-10-3-1-4-11-24)25-12-5-2-6-13-25)35-20-27-28(18-29(35)32(37)38)34(21-33-27)19-22-15-16-23-9-7-8-14-26(23)17-22/h1-17,21,29-30H,18-20H2,(H,37,38)/t29-/m0/s1
InChIKeyGLPARGIKCOZULH-LJAQVGFWSA-N
XLogP5.25
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-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-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14403649) is (6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)[C@@H]1Cc2c(ncn2Cc2ccc3ccccc3c2)CN1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is GLPARGIKCOZULH-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H27N3O3/c36-31(30(24-10-3-1-4-11-24)25-12-5-2-6-13-25)35-20-27-28(18-29(35)32(37)38)34(21-33-27)19-22-15-16-23-9-7-8-14-26(23)17-22/h1-17,21,29-30H,18-20H2,(H,37,38)/t29-/m0/s1.
What are the key properties of (6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
(6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 501.59 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-(2,2-diphenylacetyl)-1-(naphthalen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14403649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).