6-(4-fluorophenyl)-7-methyl-8-oxo-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 861812
• Molecular Formular: C16H13FN8O2
• Molecular Mass: 368.3252232
• Monoisotopic Mass: 368.11454992
• SMILES: c12n(cc(n(c2=O)C)c2ccc(cc2)F)cc(n1)C(=O)NCc1nnn[nH]1
• Canonical SMILES: Fc1ccc(cc1)c1cn2cc(nc2c(=O)n1C)C(=O)NCc1nnn[nH]1
• InChI: InChI=1S/C16H13FN8O2/c1-24-12(9-2-4-10(17)5-3-9)8-25-7-11(19-14(25)16(24)27)15(26)18-6-13-20-22-23-21-13/h2-5,7-8H,6H2,1H3,(H,18,26)(H,20,21,22,23)
• InChIKey: NYOPTFNKXVXGSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)-7-methyl-8-oxo-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 6-(4-fluorophenyl)-7-methyl-8-oxo-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: 6-(4-fluorophenyl)-7-methyl-8-oxo-N-(1H-tetrazol-5-ylmethyl)-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.113039
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.3064682
• LogD (pH = 7.4): -1.7079577
• Log P: -0.10506839
• Molar Refractivity: 95.3699 cm^3
• Polarizability: 33.4929 Å^3
• Polar Surface Area: 121.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.37
• LOG S: -2.88
• Polar Surface Area: 122.86 Å^2
• Rotatable Bonds: 4