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

• ChemBase ID: 494573
• Molecular Formular: C18H18N6O3
• Molecular Mass: 366.37392
• Monoisotopic Mass: 366.14403847
• SMILES: c12n(cc(c3c(oc(c3)C)C)n(c2=O)C)cc(n1)C(=O)NCc1ncc[nH]1
• Canonical SMILES: Cc1oc(c(c1)c1cn2cc(nc2c(=O)n1C)C(=O)NCc1ncc[nH]1)C
• InChI: InChI=1S/C18H18N6O3/c1-10-6-12(11(2)27-10)14-9-24-8-13(22-16(24)18(26)23(14)3)17(25)21-7-15-19-4-5-20-15/h4-6,8-9H,7H2,1-3H3,(H,19,20)(H,21,25)
• InChIKey: IRIWMSADCIGGEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.588962
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.71594644
• LogD (pH = 7.4): -0.107684
• Log P: -0.08266201
• Molar Refractivity: 98.6605 cm^3
• Polarizability: 35.857212 Å^3
• Polar Surface Area: 109.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.25
• LOG S: -3.4
• Polar Surface Area: 110.22 Å^2
• Rotatable Bonds: 4