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

• ChemBase ID: 547093
• 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(CCC)C
• Canonical SMILES: CCCC(NC(=O)c1cn2c(n1)c(=O)n(c(c2)c1ccccc1Cl)C)C
• InChI: InChI=1S/C19H21ClN4O2/c1-4-7-12(2)21-18(25)15-10-24-11-16(13-8-5-6-9-14(13)20)23(3)19(26)17(24)22-15/h5-6,8-12H,4,7H2,1-3H3,(H,21,25)
• InChIKey: BEBLRJUJENFIJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.053134
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.043319
• LogD (pH = 7.4): 3.043319
• Log P: 3.043319
• Molar Refractivity: 102.0505 cm^3
• Polarizability: 38.22789 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.93
• LOG S: -4.42
• Polar Surface Area: 68.4 Å^2
• Rotatable Bonds: 5