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

• ChemBase ID: 400099
• Molecular Formular: C21H26N4O3
• Molecular Mass: 382.45614
• Monoisotopic Mass: 382.20049071
• SMILES: c1(nc2n(cc(c3c(oc(c3)C)C)n(c2=O)C)c1)C(=O)N(C1CC1)CC(C)C
• Canonical SMILES: CC(CN(C(=O)c1cn2c(n1)c(=O)n(c(c2)c1cc(oc1C)C)C)C1CC1)C
• InChI: InChI=1S/C21H26N4O3/c1-12(2)9-25(15-6-7-15)20(26)17-10-24-11-18(16-8-13(3)28-14(16)4)23(5)21(27)19(24)22-17/h8,10-12,15H,6-7,9H2,1-5H3
• InChIKey: VCCJVRQDFVQWDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1717122
• LogD (pH = 7.4): 2.1717122
• Log P: 2.1717122
• Molar Refractivity: 107.6182 cm^3
• Polarizability: 39.710457 Å^3
• Polar Surface Area: 71.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.04
• LOG S: -3.73
• Polar Surface Area: 72.75 Å^2
• Rotatable Bonds: 5