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

• ChemBase ID: 552548
• Molecular Formular: C19H21ClN4O2
• Molecular Mass: 372.84864
• Monoisotopic Mass: 372.13530361
• SMILES: c1(nc2n(cc(n(c2=O)C)c2c(Cl)cccc2)c1)C(=O)N(CC)CCC
• Canonical SMILES: CCCN(C(=O)c1cn2c(n1)c(=O)n(c(c2)c1ccccc1Cl)C)CC
• InChI: InChI=1S/C19H21ClN4O2/c1-4-10-23(5-2)18(25)15-11-24-12-16(13-8-6-7-9-14(13)20)22(3)19(26)17(24)21-15/h6-9,11-12H,4-5,10H2,1-3H3
• InChIKey: XXFKWTSYAPICRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7626593
• LogD (pH = 7.4): 2.7626593
• Log P: 2.7626593
• Molar Refractivity: 102.676 cm^3
• Polarizability: 38.227776 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.16
• LOG S: -3.76
• Polar Surface Area: 59.61 Å^2
• Rotatable Bonds: 5