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

• ChemBase ID: 610405
• Molecular Formular: C16H18N4O3
• Molecular Mass: 314.33912
• Monoisotopic Mass: 314.13789046
• SMILES: c1(n2c(nc1)CN(C(=O)COCc1ccccc1)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)COCc1ccccc1
• InChI: InChI=1S/C16H18N4O3/c17-16(22)13-8-18-14-9-19(6-7-20(13)14)15(21)11-23-10-12-4-2-1-3-5-12/h1-5,8H,6-7,9-11H2,(H2,17,22)
• InChIKey: FIUYARYGBUOWNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872582
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5591581
• LogD (pH = 7.4): -0.53099585
• Log P: -0.53062254
• Molar Refractivity: 84.1033 cm^3
• Polarizability: 31.834543 Å^3
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.28
• LOG S: -3.04
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 5