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

• ChemBase ID: 546141
• Molecular Formular: C19H20N6O3
• Molecular Mass: 380.4005
• Monoisotopic Mass: 380.15968853
• SMILES: c12n(cc(c3c(oc(c3)C)C)n(c2=O)C)cc(n1)C(=O)NCc1n[nH]c(c1)C
• Canonical SMILES: Cc1[nH]nc(c1)CNC(=O)c1nc2n(c1)cc(n(c2=O)C)c1cc(oc1C)C
• InChI: InChI=1S/C19H20N6O3/c1-10-5-13(23-22-10)7-20-18(26)15-8-25-9-16(14-6-11(2)28-12(14)3)24(4)19(27)17(25)21-15/h5-6,8-9H,7H2,1-4H3,(H,20,26)(H,22,23)
• InChIKey: VLKABAFPDHZKRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.683978
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5476938
• LogD (pH = 7.4): 0.5478565
• Log P: 0.5478588
• Molar Refractivity: 104.6936 cm^3
• Polarizability: 37.604225 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: 1.34
• LOG S: -3.12
• Polar Surface Area: 110.22 Å^2
• Rotatable Bonds: 4