6-(2-chlorophenyl)-7-methyl-N-(3-methylbutan-2-yl)-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 493071
• Molecular Formular: C19H21ClN4O2
• Molecular Mass: 372.84864
• Monoisotopic Mass: 372.13530361
• SMILES: c12n(cc(n(c2=O)C)c2c(Cl)cccc2)cc(n1)C(=O)NC(C(C)C)C
• Canonical SMILES: CC(C(NC(=O)c1cn2c(n1)c(=O)n(c(c2)c1ccccc1Cl)C)C)C
• InChI: InChI=1S/C19H21ClN4O2/c1-11(2)12(3)21-18(25)15-9-24-10-16(13-7-5-6-8-14(13)20)23(4)19(26)17(24)22-15/h5-12H,1-4H3,(H,21,25)
• InChIKey: FDTMQJUWQHJYKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 14.049591
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9637232
• LogD (pH = 7.4): 2.9637232
• Log P: 2.9637232
• Molar Refractivity: 101.9211 cm^3
• Polarizability: 38.227886 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 4

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.75
• LOG S: -4.27
• Polar Surface Area: 68.4 Å^2
• Rotatable Bonds: 4