7-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 518024
• Molecular Formular: C16H15F3N4O3
• Molecular Mass: 368.3105096
• Monoisotopic Mass: 368.10962502
• SMILES: c1(n2c(nc1)CN(C(=O)C(c1ccc(C(F)(F)F)cc1)O)CC2)C(=O)N
• Canonical SMILES: O=C(C(c1ccc(cc1)C(F)(F)F)O)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C16H15F3N4O3/c17-16(18,19)10-3-1-9(2-4-10)13(24)15(26)22-5-6-23-11(14(20)25)7-21-12(23)8-22/h1-4,7,13,24H,5-6,8H2,(H2,20,25)
• InChIKey: FOBTYCFVCIDVHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-{hydroxy[4-(trifluoromethyl)phenyl]acetyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.400349
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.11247933
• LogD (pH = 7.4): -0.08432178
• Log P: -0.08394427
• Molar Refractivity: 85.0711 cm^3
• Polarizability: 31.215149 Å^3
• Polar Surface Area: 101.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.59
• LOG S: -3.25
• Polar Surface Area: 101.45 Å^2
• Rotatable Bonds: 3