6-(4-fluorophenyl)-7-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 628572
• Molecular Formular: C19H17FN6O2
• Molecular Mass: 380.3756832
• Monoisotopic Mass: 380.13970203
• SMILES: c12n(cc(n(c2=O)C)c2ccc(cc2)F)cc(n1)C(=O)NCc1cn(nc1)C
• Canonical SMILES: Fc1ccc(cc1)c1cn2cc(nc2c(=O)n1C)C(=O)NCc1cnn(c1)C
• InChI: InChI=1S/C19H17FN6O2/c1-24-9-12(8-22-24)7-21-18(27)15-10-26-11-16(13-3-5-14(20)6-4-13)25(2)19(28)17(26)23-15/h3-6,8-11H,7H2,1-2H3,(H,21,27)
• InChIKey: FGEPYDSOZMAYTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)-7-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-(4-fluorophenyl)-7-methyl-N-[(1-methylpyrazol-4-yl)methyl]-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: 6-(4-fluorophenyl)-7-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.811891
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9937547
• LogD (pH = 7.4): 0.9938342
• Log P: 0.9938354
• Molar Refractivity: 112.6857 cm^3
• Polarizability: 36.87169 Å^3
• Polar Surface Area: 85.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.66
• LOG S: -2.54
• Polar Surface Area: 86.22 Å^2
• Rotatable Bonds: 4