3-{imidazo[1,2-a]pyridin-2-yl}-N-[2,2,2-trifluoro-1-(pyridin-3-yl)ethyl]propanamide

• ChemBase ID: 369983
• Molecular Formular: C17H15F3N4O
• Molecular Mass: 348.3224096
• Monoisotopic Mass: 348.11979578
• SMILES: n12c(nc(c1)CCC(=O)NC(C(F)(F)F)c1cnccc1)cccc2
• Canonical SMILES: O=C(NC(C(F)(F)F)c1cccnc1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C17H15F3N4O/c18-17(19,20)16(12-4-3-8-21-10-12)23-15(25)7-6-13-11-24-9-2-1-5-14(24)22-13/h1-5,8-11,16H,6-7H2,(H,23,25)
• InChIKey: GQDVUGFLCAEEDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[2,2,2-trifluoro-1-(pyridin-3-yl)ethyl]propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[2,2,2-trifluoro-1-(pyridin-3-yl)ethyl]propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.197693
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8535746
• LogD (pH = 7.4): 1.6194801
• Log P: 1.6541798
• Molar Refractivity: 85.7161 cm^3
• Polarizability: 31.669462 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.77
• LOG S: -1.95
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 6