N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-[2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetamide

• ChemBase ID: 715383
• Molecular Formular: C15H15F3N4O2
• Molecular Mass: 340.3004096
• Monoisotopic Mass: 340.1147104
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)Cn1cc(ccc1=O)C(F)(F)F
• InChI: InChI=1S/C15H15F3N4O2/c16-15(17,18)10-4-5-14(24)21(8-10)9-13(23)20-12-7-19-11-3-1-2-6-22(11)12/h4-5,7-8H,1-3,6,9H2,(H,20,23)
• InChIKey: XPOKVDOXNGPJEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.120781
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.075695924
• LogD (pH = 7.4): 0.72003007
• Log P: 0.74974495
• Molar Refractivity: 81.5602 cm^3
• Polarizability: 29.021406 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.4
• LOG S: -2.88
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 3