4-{6-[2-(pyridin-3-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}morpholine

• ChemBase ID: 316503
• Molecular Formular: C18H21N7O2
• Molecular Mass: 367.40504
• Monoisotopic Mass: 367.17567295
• SMILES: c1(nc2c(nc1N1CCOCC1)non2)N1C(c2cnccc2)CCCC1
• Canonical SMILES: O1CCN(CC1)c1nc2nonc2nc1N1CCCCC1c1cccnc1
• InChI: InChI=1S/C18H21N7O2/c1-2-7-25(14(5-1)13-4-3-6-19-12-13)18-17(24-8-10-26-11-9-24)20-15-16(21-18)23-27-22-15/h3-4,6,12,14H,1-2,5,7-11H2
• InChIKey: KXSAEQHCAOBGOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{6-[2-(pyridin-3-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}morpholine
• IUPAC Traditional name: 4-{6-[2-(pyridin-3-yl)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}morpholine
• Synonyms: 5-(4-morpholinyl)-6-[2-(3-pyridinyl)-1-piperidinyl][1,2,5]oxadiazolo[3,4-b]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 2.072734
• LogD (pH = 7.4): 2.1404154
• Log P: 2.1413689
• Molar Refractivity: 103.7932 cm^3
• Polarizability: 36.709503 Å^3
• Polar Surface Area: 93.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 3.79
• LOG S: -1.95
• Polar Surface Area: 93.3 Å^2
• Rotatable Bonds: 3