1-[6-(cyclopentylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-N,N-dimethylpyrrolidin-3-amine

• ChemBase ID: 861109
• Molecular Formular: C15H23N7O
• Molecular Mass: 317.38942
• Monoisotopic Mass: 317.19640839
• SMILES: n1c2c(nc(c1N1CC(CC1)N(C)C)NC1CCCC1)non2
• Canonical SMILES: CN(C1CCN(C1)c1nc2nonc2nc1NC1CCCC1)C
• InChI: InChI=1S/C15H23N7O/c1-21(2)11-7-8-22(9-11)15-14(16-10-5-3-4-6-10)17-12-13(18-15)20-23-19-12/h10-11H,3-9H2,1-2H3,(H,16,17,19)
• InChIKey: MLQFBUWPFFNCIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-(cyclopentylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-N,N-dimethylpyrrolidin-3-amine
• IUPAC Traditional name: 1-[6-(cyclopentylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]-N,N-dimethylpyrrolidin-3-amine
• Synonyms: N-cyclopentyl-6-[3-(dimethylamino)-1-pyrrolidinyl][1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.550343
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -1.5792798
• LogD (pH = 7.4): 0.006954491
• Log P: 1.6292181
• Molar Refractivity: 93.2149 cm^3
• Polarizability: 32.511635 Å^3
• Polar Surface Area: 83.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 4.23
• LOG S: -2.86
• Polar Surface Area: 83.21 Å^2
• Rotatable Bonds: 3