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

• ChemBase ID: 705232
• Molecular Formular: C22H25FN4O3
• Molecular Mass: 412.4573032
• Monoisotopic Mass: 412.1910689
• SMILES: c1(nc2n(cc(n(c2=O)CC=C(C)C)c2ccc(cc2)F)c1)C(=O)N(CCOC)C
• Canonical SMILES: COCCN(C(=O)c1nc2n(c1)cc(n(c2=O)CC=C(C)C)c1ccc(cc1)F)C
• InChI: InChI=1S/C22H25FN4O3/c1-15(2)9-10-27-19(16-5-7-17(23)8-6-16)14-26-13-18(24-20(26)22(27)29)21(28)25(3)11-12-30-4/h5-9,13-14H,10-12H2,1-4H3
• InChIKey: WJIWGEREEPHZOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.379449
• LogD (pH = 7.4): 2.379449
• Log P: 2.379449
• Molar Refractivity: 114.2281 cm^3
• Polarizability: 42.001575 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.17
• LOG S: -4.06
• Polar Surface Area: 68.84 Å^2
• Rotatable Bonds: 7