2,5-dimethyl-3-{4-[3-(pyridin-4-yl)propyl]piperazin-1-yl}pyrazine

• ChemBase ID: 771987
• Molecular Formular: C18H25N5
• Molecular Mass: 311.4246
• Monoisotopic Mass: 311.21099583
• SMILES: c1(N2CCN(CC2)CCCc2ccncc2)nc(cnc1C)C
• Canonical SMILES: Cc1cnc(c(n1)N1CCN(CC1)CCCc1ccncc1)C
• InChI: InChI=1S/C18H25N5/c1-15-14-20-16(2)18(21-15)23-12-10-22(11-13-23)9-3-4-17-5-7-19-8-6-17/h5-8,14H,3-4,9-13H2,1-2H3
• InChIKey: XJZJFKWFTWQQOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-3-{4-[3-(pyridin-4-yl)propyl]piperazin-1-yl}pyrazine
• IUPAC Traditional name: 2,5-dimethyl-3-{4-[3-(pyridin-4-yl)propyl]piperazin-1-yl}pyrazine
• Synonyms: 2,5-dimethyl-3-{4-[3-(4-pyridinyl)propyl]-1-piperazinyl}pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.8902431
• LogD (pH = 7.4): 0.9980902
• Log P: 1.5902928
• Molar Refractivity: 93.5311 cm^3
• Polarizability: 35.514862 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.62
• LOG S: -3.13
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 5