7-(3-methylfuran-2-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 602347
• Molecular Formular: C13H14N4O3
• Molecular Mass: 274.27526
• Monoisotopic Mass: 274.10659033
• SMILES: c1(n2c(nc1)CN(C(=O)c1c(cco1)C)CC2)C(=O)N
• Canonical SMILES: NC(=O)c1cnc2n1CCN(C2)C(=O)c1occc1C
• InChI: InChI=1S/C13H14N4O3/c1-8-2-5-20-11(8)13(19)16-3-4-17-9(12(14)18)6-15-10(17)7-16/h2,5-6H,3-4,7H2,1H3,(H2,14,18)
• InChIKey: CFXDNRAURSUTOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-methylfuran-2-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(3-methylfuran-2-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-(3-methyl-2-furoyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872559
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6816509
• LogD (pH = 7.4): -0.6535047
• Log P: -0.65313166
• Molar Refractivity: 71.1399 cm^3
• Polarizability: 25.963345 Å^3
• Polar Surface Area: 94.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.08
• LOG S: -2.44
• Polar Surface Area: 94.36 Å^2
• Rotatable Bonds: 2