N-(4-chloro-3-methoxyphenyl)-2-({imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)amino)acetamide

• ChemBase ID: 699401
• Molecular Formular: C18H19ClN4O2
• Molecular Mass: 358.82206
• Monoisotopic Mass: 358.11965355
• SMILES: n12c(cnc1cccc2)CN(CC(=O)Nc1cc(c(cc1)Cl)OC)C
• Canonical SMILES: COc1cc(ccc1Cl)NC(=O)CN(Cc1cnc2n1cccc2)C
• InChI: InChI=1S/C18H19ClN4O2/c1-22(11-14-10-20-17-5-3-4-8-23(14)17)12-18(24)21-13-6-7-15(19)16(9-13)25-2/h3-10H,11-12H2,1-2H3,(H,21,24)
• InChIKey: WNECKMLEFSMCLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chloro-3-methoxyphenyl)-2-({imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)amino)acetamide
• IUPAC Traditional name: N-(4-chloro-3-methoxyphenyl)-2-({imidazo[1,2-a]pyridin-3-ylmethyl}(methyl)amino)acetamide
• Synonyms: N-(4-chloro-3-methoxyphenyl)-2-[(imidazo[1,2-a]pyridin-3-ylmethyl)(methyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.160167
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.85537416
• LogD (pH = 7.4): 1.9157956
• Log P: 1.9796059
• Molar Refractivity: 99.9865 cm^3
• Polarizability: 37.377697 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: 4
• H Donor: 1
• Log P: 2.85
• LOG S: -4.25
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 6