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

C29H27N3O3 — CID 14403564

IUPAC(6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1cccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1
InChIInChI=1S/C29H27N3O3/c1-20-9-8-10-21(15-20)17-31-19-30-24-18-32(26(29(34)35)16-25(24)31)28(33)27(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,19,26-27H,16-18H2,1H3,(H,34,35)/t26-/m0/s1
InChIKeyYPZGEWJMKJPNDQ-SANMLTNESA-N
MW465.55 g/mol
LogP4.41
Rot. Bonds6

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

(6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14403564) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is (6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID14403564
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name(6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1cccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1
InChIInChI=1S/C29H27N3O3/c1-20-9-8-10-21(15-20)17-31-19-30-24-18-32(26(29(34)35)16-25(24)31)28(33)27(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,19,26-27H,16-18H2,1H3,(H,34,35)/t26-/m0/s1
InChIKeyYPZGEWJMKJPNDQ-SANMLTNESA-N
XLogP4.41
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14403564) is (6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is Cc1cccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1.
What is the InChIKey of (6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is YPZGEWJMKJPNDQ-SANMLTNESA-N. The full InChI is InChI=1S/C29H27N3O3/c1-20-9-8-10-21(15-20)17-31-19-30-24-18-32(26(29(34)35)16-25(24)31)28(33)27(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,19,26-27H,16-18H2,1H3,(H,34,35)/t26-/m0/s1.
What are the key properties of (6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?
(6S)-5-(2,2-diphenylacetyl)-1-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 465.55 g/mol, XLogP of 4.41, 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-[(3-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14403564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).