N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 581246
• Molecular Formular: C19H18F3N3O2
• Molecular Mass: 377.3603296
• Monoisotopic Mass: 377.13511149
• SMILES: c12n(c(cn1)CC(=O)NCC(c1ccc(C(F)(F)F)cc1)O)cccc2C
• Canonical SMILES: O=C(Cc1cnc2n1cccc2C)NCC(c1ccc(cc1)C(F)(F)F)O
• InChI: InChI=1S/C19H18F3N3O2/c1-12-3-2-8-25-15(10-24-18(12)25)9-17(27)23-11-16(26)13-4-6-14(7-5-13)19(20,21)22/h2-8,10,16,26H,9,11H2,1H3,(H,23,27)
• InChIKey: LIPINXYJGWHUFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.643175
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4251322
• LogD (pH = 7.4): 2.1681347
• Log P: 2.2194402
• Molar Refractivity: 95.4304 cm^3
• Polarizability: 34.91798 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.95
• LOG S: -3.62
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 6