2-{4-[6-(cyclopentylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperazin-1-yl}-N,N-dimethylacetamide

• ChemBase ID: 710024
• Molecular Formular: C17H26N8O2
• Molecular Mass: 374.44074
• Monoisotopic Mass: 374.21787211
• SMILES: n1c2c(nc(c1N1CCN(CC(=O)N(C)C)CC1)NC1CCCC1)non2
• Canonical SMILES: CN(C(=O)CN1CCN(CC1)c1nc2nonc2nc1NC1CCCC1)C
• InChI: InChI=1S/C17H26N8O2/c1-23(2)13(26)11-24-7-9-25(10-8-24)17-16(18-12-5-3-4-6-12)19-14-15(20-17)22-27-21-14/h12H,3-11H2,1-2H3,(H,18,19,21)
• InChIKey: ARPLDSPFLRHOJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[6-(cyclopentylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperazin-1-yl}-N,N-dimethylacetamide
• IUPAC Traditional name: 2-{4-[6-(cyclopentylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperazin-1-yl}-N,N-dimethylacetamide
• Synonyms: 2-{4-[6-(cyclopentylamino)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-1-piperazinyl}-N,N-dimethylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.544968
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): -0.08610761
• LogD (pH = 7.4): 0.6056039
• Log P: 0.6278841
• Molar Refractivity: 106.3795 cm^3
• Polarizability: 37.449 Å^3
• Polar Surface Area: 103.52 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: 3.02
• LOG S: -2.43
• Polar Surface Area: 103.52 Å^2
• Rotatable Bonds: 5