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

C₃₁H₃₂N₄O₃CAS 130663-39-7508.62 g/mol

Open in Covalent MOL file

Alcohol Amide Carboxylic Acid Tertiary Amine

Properties

Molecular formula: C₃₁H₃₂N₄O₃
Molar mass: 508.62 g/mol
Exact mass: 508.2474 Da
logP: 4.48Crippen estimate
Polar surface area: 78.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 7

Identifiers

CAS number

130663-39-7

SMILES

Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N(C)C

InChIKey

YSTVFDAKLDMYCR-NDEPHWFRSA-N

InChI

InChI=1S/C31H32N4O3/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38)/t28-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

1H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-, (6S)-
1H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-, (S)-
1H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-, (6S)-
PD 123319
(S)-(+)-PD 123319

Work with (6S)-1-[[4-(Dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-C]pyridine-6-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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