6-(morpholin-4-yl)-N-[2-(pyridin-3-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

• ChemBase ID: 599469
• Molecular Formular: C15H17N7O2
• Molecular Mass: 327.34118
• Monoisotopic Mass: 327.14437282
• SMILES: c12nc(c(nc1non2)NCCc1cnccc1)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)c1nc2nonc2nc1NCCc1cccnc1
• InChI: InChI=1S/C15H17N7O2/c1-2-11(10-16-4-1)3-5-17-14-15(22-6-8-23-9-7-22)19-13-12(18-14)20-24-21-13/h1-2,4,10H,3,5-9H2,(H,17,18,20)
• InChIKey: BTLCYRNCFBORRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)-N-[2-(pyridin-3-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
• IUPAC Traditional name: 6-(morpholin-4-yl)-N-[2-(pyridin-3-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
• Synonyms: 6-(4-morpholinyl)-N-[2-(3-pyridinyl)ethyl][1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.089533
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 0.6266847
• LogD (pH = 7.4): 0.8797723
• Log P: 0.8846313
• Molar Refractivity: 92.5012 cm^3
• Polarizability: 31.866117 Å^3
• Polar Surface Area: 102.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.88
• LOG S: -3.21
• Polar Surface Area: 102.09 Å^2
• Rotatable Bonds: 5