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

• ChemBase ID: 717629
• 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)NCCc1c[nH]nc1
• Canonical SMILES: Fc1ccc(cc1)c1cn2cc(nc2c(=O)n1C)C(=O)NCCc1c[nH]nc1
• InChI: InChI=1S/C19H17FN6O2/c1-25-16(13-2-4-14(20)5-3-13)11-26-10-15(24-17(26)19(25)28)18(27)21-7-6-12-8-22-23-9-12/h2-5,8-11H,6-7H2,1H3,(H,21,27)(H,22,23)
• InChIKey: NBTOPPFJIMASCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.781016
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1586796
• LogD (pH = 7.4): 1.1588186
• Log P: 1.1588205
• Molar Refractivity: 102.2247 cm^3
• Polarizability: 36.95019 Å^3
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.73
• LOG S: -2.6
• Polar Surface Area: 97.08 Å^2
• Rotatable Bonds: 5