6-(piperidin-1-yl)-N-[3-(1H-pyrazol-1-yl)propyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

• ChemBase ID: 400912
• Molecular Formular: C15H20N8O
• Molecular Mass: 328.3723
• Monoisotopic Mass: 328.1760073
• SMILES: c12nc(c(nc1non2)NCCCn1nccc1)N1CCCCC1
• Canonical SMILES: C1CCN(CC1)c1nc2nonc2nc1NCCCn1cccn1
• InChI: InChI=1S/C15H20N8O/c1-2-8-22(9-3-1)15-14(18-12-13(19-15)21-24-20-12)16-6-4-10-23-11-5-7-17-23/h5,7,11H,1-4,6,8-10H2,(H,16,18,20)
• InChIKey: AXTORTQGTADOIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.286764
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.4474409
• LogD (pH = 7.4): 1.4475749
• Log P: 1.4475766
• Molar Refractivity: 106.2158 cm^3
• Polarizability: 32.545784 Å^3
• Polar Surface Area: 97.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 4.32
• LOG S: -4.46
• Polar Surface Area: 97.79 Å^2
• Rotatable Bonds: 6