N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(2,2,2-trifluoroethoxy)benzamide

• ChemBase ID: 421152
• Molecular Formular: C16H16F3N3O2
• Molecular Mass: 339.3123496
• Monoisotopic Mass: 339.11946143
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1cc(OCC(F)(F)F)ccc1
• Canonical SMILES: O=C(c1cccc(c1)OCC(F)(F)F)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H16F3N3O2/c17-16(18,19)10-24-12-5-3-4-11(8-12)15(23)21-14-9-20-13-6-1-2-7-22(13)14/h3-5,8-9H,1-2,6-7,10H2,(H,21,23)
• InChIKey: AJSRPILIQFVVEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(2,2,2-trifluoroethoxy)benzamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(2,2,2-trifluoroethoxy)benzamide
• Synonyms: N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.457743
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1859322
• LogD (pH = 7.4): 2.8230078
• Log P: 2.851689
• Molar Refractivity: 82.5466 cm^3
• Polarizability: 29.956732 Å^3
• Polar Surface Area: 56.15 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: 2.88
• LOG S: -4.13
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4