N-(cyclopropylmethyl)-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 585357
• Molecular Formular: C18H20N4O3
• Molecular Mass: 340.3764
• Monoisotopic Mass: 340.15354052
• SMILES: c12n(cc(c3c(oc(c3)C)C)n(c2=O)C)cc(n1)C(=O)NCC1CC1
• Canonical SMILES: O=C(c1nc2n(c1)cc(n(c2=O)C)c1cc(oc1C)C)NCC1CC1
• InChI: InChI=1S/C18H20N4O3/c1-10-6-13(11(2)25-10)15-9-22-8-14(17(23)19-7-12-4-5-12)20-16(22)18(24)21(15)3/h6,8-9,12H,4-5,7H2,1-3H3,(H,19,23)
• InChIKey: GFYXLNAFPVCJAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxo-7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-(cyclopropylmethyl)-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-(cyclopropylmethyl)-6-(2,5-dimethyl-3-furyl)-7-methyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.940196
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0187457
• LogD (pH = 7.4): 1.0187457
• Log P: 1.0187457
• Molar Refractivity: 93.7081 cm^3
• Polarizability: 34.211483 Å^3
• Polar Surface Area: 80.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.59
• LOG S: -3.04
• Polar Surface Area: 81.54 Å^2
• Rotatable Bonds: 4