2,5-dimethyl-3-{4-[6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperazin-1-yl}pyrazine

• ChemBase ID: 340211
• Molecular Formular: C19H25N9O
• Molecular Mass: 395.4615
• Monoisotopic Mass: 395.21820647
• SMILES: n1c2c(nc(c1N1CCCCC1)N1CCN(c3nc(cnc3C)C)CC1)non2
• Canonical SMILES: Cc1cnc(c(n1)N1CCN(CC1)c1nc2nonc2nc1N1CCCCC1)C
• InChI: InChI=1S/C19H25N9O/c1-13-12-20-14(2)17(21-13)27-8-10-28(11-9-27)19-18(26-6-4-3-5-7-26)22-15-16(23-19)25-29-24-15/h12H,3-11H2,1-2H3
• InChIKey: IYGADAFRHSVUCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-3-{4-[6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperazin-1-yl}pyrazine
• IUPAC Traditional name: 2,5-dimethyl-3-{4-[6-(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]piperazin-1-yl}pyrazine
• Synonyms: 5-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-6-(1-piperidinyl)[1,2,5]oxadiazolo[3,4-b]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 9
• H Donor: 0
• LogD (pH = 5.5): 1.95283
• LogD (pH = 7.4): 1.9533874
• Log P: 1.9533944
• Molar Refractivity: 114.3241 cm^3
• Polarizability: 39.801025 Å^3
• Polar Surface Area: 100.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 4.5
• LOG S: -4.5
• Polar Surface Area: 100.2 Å^2
• Rotatable Bonds: 3