[1-(2-chlorophenyl)ethyl]({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase ID: 674546
• Molecular Formular: C23H27ClN4O
• Molecular Mass: 410.93968
• Monoisotopic Mass: 410.18733918
• SMILES: c1(c(n2c(n1)c(ccc2)C)CNC(c1c(Cl)cccc1)C)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNC(c1ccccc1Cl)C)cccc2C)N1CCCCC1
• InChI: InChI=1S/C23H27ClN4O/c1-16-9-8-14-28-20(15-25-17(2)18-10-4-5-11-19(18)24)21(26-22(16)28)23(29)27-12-6-3-7-13-27/h4-5,8-11,14,17,25H,3,6-7,12-13,15H2,1-2H3
• InChIKey: QGSJCZRIJRKWSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-chlorophenyl)ethyl]({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: [1-(2-chlorophenyl)ethyl]({[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• Synonyms: 1-(2-chlorophenyl)-N-{[8-methyl-2-(1-piperidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0675452
• LogD (pH = 7.4): 3.687621
• Log P: 4.0306225
• Molar Refractivity: 118.5811 cm^3
• Polarizability: 44.874104 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.25
• LOG S: -5.3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5