6-(4-fluorophenyl)-N-methyl-7-(3-methylbut-2-en-1-yl)-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 663976
• Molecular Formular: C19H19FN4O2
• Molecular Mass: 354.3781632
• Monoisotopic Mass: 354.14920409
• SMILES: c12n(cc(n(c2=O)CC=C(C)C)c2ccc(cc2)F)cc(n1)C(=O)NC
• Canonical SMILES: CNC(=O)c1cn2c(n1)c(=O)n(c(c2)c1ccc(cc1)F)CC=C(C)C
• InChI: InChI=1S/C19H19FN4O2/c1-12(2)8-9-24-16(13-4-6-14(20)7-5-13)11-23-10-15(18(25)21-3)22-17(23)19(24)26/h4-8,10-11H,9H2,1-3H3,(H,21,25)
• InChIKey: AIOUDKGJVDUKJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)-N-methyl-7-(3-methylbut-2-en-1-yl)-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-(4-fluorophenyl)-N-methyl-7-(3-methylbut-2-en-1-yl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: 6-(4-fluorophenyl)-N-methyl-7-(3-methylbut-2-en-1-yl)-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.840281
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2027483
• LogD (pH = 7.4): 2.202748
• Log P: 2.2027483
• Molar Refractivity: 98.2879 cm^3
• Polarizability: 35.778484 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: 2.58
• LOG S: -3.99
• Polar Surface Area: 68.4 Å^2
• Rotatable Bonds: 4