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

• ChemBase ID: 781945
• Molecular Formular: C18H23N7O2
• Molecular Mass: 369.42092
• Monoisotopic Mass: 369.19132301
• SMILES: n1c2c(nc(c1N1C(c3cnccc3)CCCC1)NCCCOC)non2
• Canonical SMILES: COCCCNc1nc2nonc2nc1N1CCCCC1c1cccnc1
• InChI: InChI=1S/C18H23N7O2/c1-26-11-5-9-20-17-18(22-16-15(21-17)23-27-24-16)25-10-3-2-7-14(25)13-6-4-8-19-12-13/h4,6,8,12,14H,2-3,5,7,9-11H2,1H3,(H,20,21,23)
• InChIKey: YVACKMMRBQLXST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.195826
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 1.6689531
• LogD (pH = 7.4): 1.7366343
• Log P: 1.7375879
• Molar Refractivity: 106.3928 cm^3
• Polarizability: 37.424957 Å^3
• Polar Surface Area: 102.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 4.3
• LOG S: -4.07
• Polar Surface Area: 102.09 Å^2
• Rotatable Bonds: 6