N-[2-(2-ethoxyphenyl)ethyl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 634690
• Molecular Formular: C17H22N4O2
• Molecular Mass: 314.38218
• Monoisotopic Mass: 314.17427596
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCCc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1CCNC(=O)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C17H22N4O2/c1-2-23-15-6-4-3-5-13(15)7-8-19-17(22)14-12-21-10-9-18-11-16(21)20-14/h3-6,12,18H,2,7-11H2,1H3,(H,19,22)
• InChIKey: WDSPTWNCYNNXNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.314776
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.09975577
• LogD (pH = 7.4): 1.1497909
• Log P: 1.2108799
• Molar Refractivity: 88.698 cm^3
• Polarizability: 33.862213 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.05
• LOG S: -2.39
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 6