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

• ChemBase ID: 378340
• Molecular Formular: C16H19N7O
• Molecular Mass: 325.36836
• Monoisotopic Mass: 325.16510826
• SMILES: c1(nc2c(nc1N(C)C)non2)N1C(c2ncccc2)CCCC1
• Canonical SMILES: CN(c1nc2nonc2nc1N1CCCCC1c1ccccn1)C
• InChI: InChI=1S/C16H19N7O/c1-22(2)15-16(19-14-13(18-15)20-24-21-14)23-10-6-4-8-12(23)11-7-3-5-9-17-11/h3,5,7,9,12H,4,6,8,10H2,1-2H3
• InChIKey: SGAJOGMSGJLOGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.5792186
• LogD (pH = 7.4): 2.593347
• Log P: 2.5935304
• Molar Refractivity: 94.2716 cm^3
• Polarizability: 33.03487 Å^3
• Polar Surface Area: 84.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.14
• LOG S: -3.09
• Polar Surface Area: 84.07 Å^2
• Rotatable Bonds: 2