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

• ChemBase ID: 400519
• Molecular Formular: C19H24N6O3
• Molecular Mass: 384.43226
• Monoisotopic Mass: 384.19098866
• SMILES: n1c2c(nc(c1N1CC(OCc3ccccc3)CCC1)NCCOC)non2
• Canonical SMILES: COCCNc1nc2nonc2nc1N1CCCC(C1)OCc1ccccc1
• InChI: InChI=1S/C19H24N6O3/c1-26-11-9-20-18-19(22-17-16(21-18)23-28-24-17)25-10-5-8-15(12-25)27-13-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,20,21,23)
• InChIKey: JAPDJBJRQKFOCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.891281
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 2.4037564
• LogD (pH = 7.4): 2.4037564
• Log P: 2.4037564
• Molar Refractivity: 110.1268 cm^3
• Polarizability: 39.01563 Å^3
• Polar Surface Area: 98.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 4.83
• LOG S: -4.74
• Polar Surface Area: 98.43 Å^2
• Rotatable Bonds: 7