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

• ChemBase ID: 522141
• Molecular Formular: C14H22N6O3
• Molecular Mass: 322.36288
• Monoisotopic Mass: 322.17533859
• SMILES: n1c2c(nc(c1N1CC(COC)CCC1)NCCOC)non2
• Canonical SMILES: COCCNc1nc2nonc2nc1N1CCCC(C1)COC
• InChI: InChI=1S/C14H22N6O3/c1-21-7-5-15-13-14(17-12-11(16-13)18-23-19-12)20-6-3-4-10(8-20)9-22-2/h10H,3-9H2,1-2H3,(H,15,16,18)
• InChIKey: ZMMQFBNULBMXIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.903252
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 0.7240379
• LogD (pH = 7.4): 0.7240379
• Log P: 0.7240379
• Molar Refractivity: 90.4542 cm^3
• Polarizability: 31.338125 Å^3
• Polar Surface Area: 98.43 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: 2.79
• LOG S: -3.29
• Polar Surface Area: 98.43 Å^2
• Rotatable Bonds: 5