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

• ChemBase ID: 696344
• Molecular Formular: C17H17ClN4O3
• Molecular Mass: 360.79488
• Monoisotopic Mass: 360.0989181
• SMILES: c12n(cc(n(c2=O)C)c2c(Cl)cccc2)cc(n1)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1cn2c(n1)c(=O)n(c(c2)c1ccccc1Cl)C
• InChI: InChI=1S/C17H17ClN4O3/c1-21-14(11-5-3-4-6-12(11)18)10-22-9-13(20-15(22)17(21)24)16(23)19-7-8-25-2/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
• InChIKey: TYZAHBOINMGEJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.912317
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2558694
• LogD (pH = 7.4): 1.2558694
• Log P: 1.2558694
• Molar Refractivity: 94.8016 cm^3
• Polarizability: 35.28968 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.0
• LOG S: -2.69
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 5