7-[2-methyl-5-(propan-2-yl)furan-3-carbonyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 450099
• Molecular Formular: C16H20N4O3
• Molecular Mass: 316.355
• Monoisotopic Mass: 316.15354052
• SMILES: c1(C(=O)N2Cc3n(c(cn3)C(=O)N)CC2)cc(oc1C)C(C)C
• Canonical SMILES: O=C(c1cc(oc1C)C(C)C)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C16H20N4O3/c1-9(2)13-6-11(10(3)23-13)16(22)19-4-5-20-12(15(17)21)7-18-14(20)8-19/h6-7,9H,4-5,8H2,1-3H3,(H2,17,21)
• InChIKey: WBNPQUKBFVINRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8725605
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.1715428
• LogD (pH = 7.4): 0.19969058
• Log P: 0.20006372
• Molar Refractivity: 85.5162 cm^3
• Polarizability: 31.365627 Å^3
• Polar Surface Area: 94.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.35
• LOG S: -2.66
• Polar Surface Area: 94.36 Å^2
• Rotatable Bonds: 3