2-(5-chloro-2-methoxypyridin-4-yl)-6-(piperidine-1-carbonyl)pyrazine

• ChemBase ID: 784998
• Molecular Formular: C16H17ClN4O2
• Molecular Mass: 332.78478
• Monoisotopic Mass: 332.10400348
• SMILES: c1(nc(c2c(cnc(c2)OC)Cl)cnc1)C(=O)N1CCCCC1
• Canonical SMILES: COc1ncc(c(c1)c1cncc(n1)C(=O)N1CCCCC1)Cl
• InChI: InChI=1S/C16H17ClN4O2/c1-23-15-7-11(12(17)8-19-15)13-9-18-10-14(20-13)16(22)21-5-3-2-4-6-21/h7-10H,2-6H2,1H3
• InChIKey: VNTFAPTTWHZIOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloro-2-methoxypyridin-4-yl)-6-(piperidine-1-carbonyl)pyrazine
• IUPAC Traditional name: 2-(5-chloro-2-methoxypyridin-4-yl)-6-(piperidine-1-carbonyl)pyrazine
• Synonyms: 2-(5-chloro-2-methoxypyridin-4-yl)-6-(piperidin-1-ylcarbonyl)pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9283423
• LogD (pH = 7.4): 1.928344
• Log P: 1.928344
• Molar Refractivity: 86.5748 cm^3
• Polarizability: 34.340805 Å^3
• Polar Surface Area: 68.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.86
• LOG S: -3.21
• Polar Surface Area: 68.21 Å^2
• Rotatable Bonds: 3