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

• ChemBase ID: 630711
• Molecular Formular: C16H18N4O4
• Molecular Mass: 330.33852
• Monoisotopic Mass: 330.13280508
• SMILES: c12n(cc(c3c(oc(c3)C)C)n(c2=O)C)cc(n1)C(=O)NCCO
• Canonical SMILES: Cn1c(cn2c(c1=O)nc(c2)C(=O)NCCO)c1cc(oc1C)C
• InChI: InChI=1S/C16H18N4O4/c1-9-6-11(10(2)24-9)13-8-20-7-12(15(22)17-4-5-21)18-14(20)16(23)19(13)3/h6-8,21H,4-5H2,1-3H3,(H,17,22)
• InChIKey: XJSMWKZBAOKQKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 100.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.903256
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.4519336
• LogD (pH = 7.4): -0.45193368
• Log P: -0.45193356
• Molar Refractivity: 88.0584 cm^3
• Polarizability: 31.9334 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 101.77 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 2
• Log P: 0.2
• LOG S: -3.09