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

• ChemBase ID: 433709
• Molecular Formular: C16H26N6O3
• Molecular Mass: 350.41604
• Monoisotopic Mass: 350.20663872
• SMILES: c12nc(c(nc1non2)NCCOC)N1CCC(CC1)CCCOC
• Canonical SMILES: COCCCC1CCN(CC1)c1nc2nonc2nc1NCCOC
• InChI: InChI=1S/C16H26N6O3/c1-23-10-3-4-12-5-8-22(9-6-12)16-15(17-7-11-24-2)18-13-14(19-16)21-25-20-13/h12H,3-11H2,1-2H3,(H,17,18,20)
• InChIKey: CNBUVEKVIMJPOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.905071
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 1.4936647
• LogD (pH = 7.4): 1.4936647
• Log P: 1.4936647
• Molar Refractivity: 99.832 cm^3
• Polarizability: 34.990074 Å^3
• Polar Surface Area: 98.43 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 3.84
• LOG S: -3.85
• Polar Surface Area: 98.43 Å^2
• Rotatable Bonds: 7