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

• ChemBase ID: 651906
• Molecular Formular: C18H17N5O4
• Molecular Mass: 367.35868
• Monoisotopic Mass: 367.12805405
• SMILES: c12n(cc(c3c(oc(c3)C)C)n(c2=O)C)cc(n1)C(=O)NCc1nocc1
• Canonical SMILES: Cc1oc(c(c1)c1cn2cc(nc2c(=O)n1C)C(=O)NCc1nocc1)C
• InChI: InChI=1S/C18H17N5O4/c1-10-6-13(11(2)27-10)15-9-23-8-14(20-16(23)18(25)22(15)3)17(24)19-7-12-4-5-26-21-12/h4-6,8-9H,7H2,1-3H3,(H,19,24)
• InChIKey: OMRLXZSDKDZLQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.658815
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4086587
• LogD (pH = 7.4): 0.40865865
• Log P: 0.40865886
• Molar Refractivity: 97.2985 cm^3
• Polarizability: 35.06917 Å^3
• Polar Surface Area: 106.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.64
• LOG S: -2.42
• Polar Surface Area: 107.57 Å^2
• Rotatable Bonds: 4