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

• ChemBase ID: 436977
• Molecular Formular: C14H18N8O
• Molecular Mass: 314.34572
• Monoisotopic Mass: 314.16035724
• SMILES: c12nc(c(nc1non2)NCCn1nccc1)N1CCCCC1
• Canonical SMILES: C1CCN(CC1)c1nc2nonc2nc1NCCn1cccn1
• InChI: InChI=1S/C14H18N8O/c1-2-7-21(8-3-1)14-13(15-6-10-22-9-4-5-16-22)17-11-12(18-14)20-23-19-11/h4-5,9H,1-3,6-8,10H2,(H,15,17,19)
• InChIKey: IVXQACREMHXWGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.251703
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.3874846
• LogD (pH = 7.4): 1.3876152
• Log P: 1.3876169
• Molar Refractivity: 101.3504 cm^3
• Polarizability: 30.717997 Å^3
• Polar Surface Area: 97.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 4.01
• LOG S: -4.07
• Polar Surface Area: 97.79 Å^2
• Rotatable Bonds: 5