N-{1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 555493
• Molecular Formular: C16H17N7O2
• Molecular Mass: 339.35188
• Monoisotopic Mass: 339.14437282
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NC(c1nc(no1)c1cnccc1)C
• Canonical SMILES: CC(c1onc(n1)c1cccnc1)NC(=O)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C16H17N7O2/c1-10(16-21-14(22-25-16)11-3-2-4-17-7-11)19-15(24)12-9-23-6-5-18-8-13(23)20-12/h2-4,7,9-10,18H,5-6,8H2,1H3,(H,19,24)
• InChIKey: NBSIDAIURJPTMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-{1-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-{1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.956004
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.7882134
• LogD (pH = 7.4): 0.267763
• Log P: 0.32884994
• Molar Refractivity: 100.4224 cm^3
• Polarizability: 34.044716 Å^3
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: 0.07
• LOG S: -3.04
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 4