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

• ChemBase ID: 489094
• Molecular Formular: C22H25ClN4O
• Molecular Mass: 396.9131
• Monoisotopic Mass: 396.17168912
• SMILES: c1(nc2n(c1CNCc1c(Cl)cccc1)cccc2C)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCc1ccccc1Cl)cccc2C)N1CCCCC1
• InChI: InChI=1S/C22H25ClN4O/c1-16-8-7-13-27-19(15-24-14-17-9-3-4-10-18(17)23)20(25-21(16)27)22(28)26-11-5-2-6-12-26/h3-4,7-10,13,24H,2,5-6,11-12,14-15H2,1H3
• InChIKey: VSFBWVYNAPDAAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7019539
• LogD (pH = 7.4): 3.299814
• Log P: 3.6140475
• Molar Refractivity: 114.1623 cm^3
• Polarizability: 43.03309 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: 2.95
• LOG S: -4.89
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5