7-[2-(2H-1,3-benzodioxol-5-yloxy)propanoyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 784164
• Molecular Formular: C17H18N4O5
• Molecular Mass: 358.34862
• Monoisotopic Mass: 358.1277197
• SMILES: c1(n2c(nc1)CN(C(=O)C(Oc1cc3c(OCO3)cc1)C)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)C(Oc1ccc2c(c1)OCO2)C
• InChI: InChI=1S/C17H18N4O5/c1-10(26-11-2-3-13-14(6-11)25-9-24-13)17(23)20-4-5-21-12(16(18)22)7-19-15(21)8-20/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,18,22)
• InChIKey: RZDNZEODGBURHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(2H-1,3-benzodioxol-5-yloxy)propanoyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-[2-(2H-1,3-benzodioxol-5-yloxy)propanoyl]-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[2-(1,3-benzodioxol-5-yloxy)propanoyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.87238
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.40060812
• LogD (pH = 7.4): -0.37244615
• Log P: -0.37207282
• Molar Refractivity: 89.2602 cm^3
• Polarizability: 34.37671 Å^3
• Polar Surface Area: 108.91 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: 0.15
• LOG S: -3.25
• Polar Surface Area: 108.91 Å^2
• Rotatable Bonds: 4