N-{[4-(trifluoromethoxy)phenyl]methyl}imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 571795
• Molecular Formular: C16H12F3N3O2
• Molecular Mass: 335.2805896
• Monoisotopic Mass: 335.0881613
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NCc1ccc(cc1)OC(F)(F)F
• InChI: InChI=1S/C16H12F3N3O2/c17-16(18,19)24-13-4-1-11(2-5-13)9-21-15(23)12-3-6-14-20-7-8-22(14)10-12/h1-8,10H,9H2,(H,21,23)
• InChIKey: JTRIWZFRIAYBLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(trifluoromethoxy)phenyl]methyl}imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-{[4-(trifluoromethoxy)phenyl]methyl}imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[4-(trifluoromethoxy)benzyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.258301
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3577738
• LogD (pH = 7.4): 2.964598
• Log P: 2.9894505
• Molar Refractivity: 77.5944 cm^3
• Polarizability: 29.41804 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.08
• LOG S: -4.28
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 5