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

• ChemBase ID: 844844
• Molecular Formular: C23H28N4O2
• Molecular Mass: 392.49402
• Monoisotopic Mass: 392.22122616
• SMILES: c1(nc2n(c1CNCc1cc(OC)ccc1)cccc2C)C(=O)N1CCCCC1
• Canonical SMILES: COc1cccc(c1)CNCc1c(nc2n1cccc2C)C(=O)N1CCCCC1
• InChI: InChI=1S/C23H28N4O2/c1-17-8-7-13-27-20(16-24-15-18-9-6-10-19(14-18)29-2)21(25-22(17)27)23(28)26-11-4-3-5-12-26/h6-10,13-14,24H,3-5,11-12,15-16H2,1-2H3
• InChIKey: GVARETAPFHRHEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4651422
• LogD (pH = 7.4): 2.1955752
• Log P: 2.8523314
• Molar Refractivity: 115.8207 cm^3
• Polarizability: 43.684834 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.15
• LOG S: -4.33
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5