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

• ChemBase ID: 656235
• Molecular Formular: C15H16N4O3
• Molecular Mass: 300.31254
• Monoisotopic Mass: 300.12224039
• SMILES: c1(n2c(nc1)CN(C(=O)COc1ccccc1)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)COc1ccccc1
• InChI: InChI=1S/C15H16N4O3/c16-15(21)12-8-17-13-9-18(6-7-19(12)13)14(20)10-22-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H2,16,21)
• InChIKey: IFTGHQSYAAUKNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.871563
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.59260607
• LogD (pH = 7.4): -0.5644439
• Log P: -0.5640705
• Molar Refractivity: 78.9994 cm^3
• Polarizability: 29.992235 Å^3
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.2
• LOG S: -2.88
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 4