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

• ChemBase ID: 733952
• Molecular Formular: C18H18N4O4
• Molecular Mass: 354.35992
• Monoisotopic Mass: 354.13280508
• SMILES: c1(C(=O)N2Cc3n(c(cn3)C(=O)N)CC2)oc2c(c1C)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)oc(c2C)C(=O)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C18H18N4O4/c1-10-12-4-3-11(25-2)7-14(12)26-16(10)18(24)21-5-6-22-13(17(19)23)8-20-15(22)9-21/h3-4,7-8H,5-6,9H2,1-2H3,(H2,19,23)
• InChIKey: AJGGTUWDFXAEKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872559
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.17955574
• LogD (pH = 7.4): 0.20770186
• Log P: 0.20807497
• Molar Refractivity: 93.9308 cm^3
• Polarizability: 35.907883 Å^3
• Polar Surface Area: 103.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.45
• LOG S: -3.02
• Polar Surface Area: 103.59 Å^2
• Rotatable Bonds: 3