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

• ChemBase ID: 757343
• 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)NCCCCC
• Canonical SMILES: CCCCCNC(=O)c1cn2c(n1)c(=O)n(c(c2)c1ccccc1Cl)C
• InChI: InChI=1S/C19H21ClN4O2/c1-3-4-7-10-21-18(25)15-11-24-12-16(13-8-5-6-9-14(13)20)23(2)19(26)17(24)22-15/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,21,25)
• InChIKey: PODHZCYPHLWPIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 102.2327 cm^3
• Polarizability: 38.227905 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 13.944023
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0713127
• LogD (pH = 7.4): 3.0713124
• Log P: 3.0713127

供应商提供(Chembridge)

• Polar Surface Area: 68.4 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 1
• Log P: 3.11
• LOG S: -4.57