N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 510322
• Molecular Formular: C18H17ClFN3O
• Molecular Mass: 345.7984832
• Monoisotopic Mass: 345.10441808
• SMILES: c1(cn2c(nc(c2)C)cc1)C(=O)N(Cc1c(F)cccc1Cl)CC
• Canonical SMILES: CCN(C(=O)c1ccc2n(c1)cc(n2)C)Cc1c(F)cccc1Cl
• InChI: InChI=1S/C18H17ClFN3O/c1-3-22(11-14-15(19)5-4-6-16(14)20)18(24)13-7-8-17-21-12(2)9-23(17)10-13/h4-10H,3,11H2,1-2H3
• InChIKey: GGPGVHUSPKVJFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(2-chloro-6-fluorobenzyl)-N-ethyl-2-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3674896
• LogD (pH = 7.4): 2.9963732
• Log P: 3.0169396
• Molar Refractivity: 93.7821 cm^3
• Polarizability: 34.567905 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.59
• LOG S: -3.93
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4