6-chloro-3-{[(2,2-diphenylethyl)amino]methyl}-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 712672
• Molecular Formular: C25H25ClN4O
• Molecular Mass: 432.9452
• Monoisotopic Mass: 432.17168912
• SMILES: c1(nc2n(c1CNCC(c1ccccc1)c1ccccc1)cc(cc2)Cl)C(=O)N(C)C
• Canonical SMILES: Clc1ccc2n(c1)c(CNCC(c1ccccc1)c1ccccc1)c(n2)C(=O)N(C)C
• InChI: InChI=1S/C25H25ClN4O/c1-29(2)25(31)24-22(30-17-20(26)13-14-23(30)28-24)16-27-15-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,21,27H,15-16H2,1-2H3
• InChIKey: XXZHCJOHAXYHDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-{[(2,2-diphenylethyl)amino]methyl}-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-3-{[(2,2-diphenylethyl)amino]methyl}-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-chloro-3-{[(2,2-diphenylethyl)amino]methyl}-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0169888
• LogD (pH = 7.4): 2.5149899
• Log P: 4.037698
• Molar Refractivity: 126.3007 cm^3
• Polarizability: 47.841236 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.63
• LOG S: -5.72
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 7