[2-(4-chlorophenyl)ethyl]({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine

• ChemBase ID: 480888
• Molecular Formular: C22H25ClN4O2
• Molecular Mass: 412.9125
• Monoisotopic Mass: 412.16660374
• SMILES: c1(nc2n(c1CNCCc1ccc(Cl)cc1)cccc2C)C(=O)N1CCOCC1
• Canonical SMILES: Clc1ccc(cc1)CCNCc1c(nc2n1cccc2C)C(=O)N1CCOCC1
• InChI: InChI=1S/C22H25ClN4O2/c1-16-3-2-10-27-19(15-24-9-8-17-4-6-18(23)7-5-17)20(25-21(16)27)22(28)26-11-13-29-14-12-26/h2-7,10,24H,8-9,11-15H2,1H3
• InChIKey: LTTKKPNLZUYVRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-chlorophenyl)ethyl]({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: [2-(4-chlorophenyl)ethyl]({[8-methyl-2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• Synonyms: 2-(4-chlorophenyl)-N-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.14143164
• LogD (pH = 7.4): 1.4125187
• Log P: 2.833842
• Molar Refractivity: 115.8498 cm^3
• Polarizability: 43.65435 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: 2.86
• LOG S: -4.55
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 6