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

• ChemBase ID: 501244
• Molecular Formular: C16H15F4N3O2
• Molecular Mass: 357.3028128
• Monoisotopic Mass: 357.11003962
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(OC(C(F)F)(F)F)cccc1
• Canonical SMILES: FC(C(Oc1ccccc1C(=O)Nc1cnc2n1CCCC2)(F)F)F
• InChI: InChI=1S/C16H15F4N3O2/c17-15(18)16(19,20)25-11-6-2-1-5-10(11)14(24)22-13-9-21-12-7-3-4-8-23(12)13/h1-2,5-6,9,15H,3-4,7-8H2,(H,22,24)
• InChIKey: UOVSYULAHRFPSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.044459
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5469098
• LogD (pH = 7.4): 3.182572
• Log P: 3.2110672
• Molar Refractivity: 82.222 cm^3
• Polarizability: 29.822401 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: 2.8
• LOG S: -4.2
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4