2-methoxy-3-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrazine

• ChemBase ID: 571594
• Molecular Formular: C16H23N5O2
• Molecular Mass: 317.38612
• Monoisotopic Mass: 317.185175
• SMILES: c1(C2CN(c3c(nccn3)OC)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)c1nccnc1OC
• InChI: InChI=1S/C16H23N5O2/c1-22-11-10-20-9-7-18-14(20)13-4-3-8-21(12-13)15-16(23-2)19-6-5-17-15/h5-7,9,13H,3-4,8,10-12H2,1-2H3
• InChIKey: XPGFVGZIHGILFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}pyrazine
• IUPAC Traditional name: 2-methoxy-3-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl}pyrazine
• Synonyms: 2-methoxy-3-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.3602879
• LogD (pH = 7.4): 1.1757225
• Log P: 1.2840935
• Molar Refractivity: 88.2409 cm^3
• Polarizability: 33.17156 Å^3
• Polar Surface Area: 65.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.58
• LOG S: -2.86
• Polar Surface Area: 65.3 Å^2
• Rotatable Bonds: 6