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

• ChemBase ID: 580727
• Molecular Formular: C15H22N4O4
• Molecular Mass: 322.35958
• Monoisotopic Mass: 322.1641052
• SMILES: c1(n2c(nc1)CN(C(=O)COCC1OCCCC1)CC2)C(=O)N
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2C(=O)N)COCC1CCCCO1
• InChI: InChI=1S/C15H22N4O4/c16-15(21)12-7-17-13-8-18(4-5-19(12)13)14(20)10-22-9-11-3-1-2-6-23-11/h7,11H,1-6,8-10H2,(H2,16,21)
• InChIKey: PWPGHPRRRBGZLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872582
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.4204735
• LogD (pH = 7.4): -1.3923113
• Log P: -1.391938
• Molar Refractivity: 82.3464 cm^3
• Polarizability: 31.49239 Å^3
• Polar Surface Area: 99.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.59
• LOG S: -2.36
• Polar Surface Area: 99.68 Å^2
• Rotatable Bonds: 5