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

• ChemBase ID: 863093
• Molecular Formular: C15H14ClF3N4O2
• Molecular Mass: 374.7454696
• Monoisotopic Mass: 374.07573805
• SMILES: c1(cn(c(=O)c(c1)Cl)CC(=O)Nc1n2c(nc1)CCCC2)C(F)(F)F
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)Cn1cc(cc(c1=O)Cl)C(F)(F)F
• InChI: InChI=1S/C15H14ClF3N4O2/c16-10-5-9(15(17,18)19)7-22(14(10)25)8-13(24)21-12-6-20-11-3-1-2-4-23(11)12/h5-7H,1-4,8H2,(H,21,24)
• InChIKey: SNWKKXJINPSKIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: 2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: 2-[3-chloro-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: 12.119185
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.73648185
• LogD (pH = 7.4): 1.3808157
• Log P: 1.4105306
• Molar Refractivity: 86.3515 cm^3
• Polarizability: 30.980642 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: 2.11
• LOG S: -3.73
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 3