2-{[(1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}piperidin-4-yl)oxy]methyl}pyridine

• ChemBase ID: 647519
• Molecular Formular: C20H23N5O
• Molecular Mass: 349.42952
• Monoisotopic Mass: 349.19026038
• SMILES: c12c(nc(cc2C)C)ncnc1N1CCC(CC1)OCc1ncccc1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2N1CCC(CC1)OCc1ccccn1
• InChI: InChI=1S/C20H23N5O/c1-14-11-15(2)24-19-18(14)20(23-13-22-19)25-9-6-17(7-10-25)26-12-16-5-3-4-8-21-16/h3-5,8,11,13,17H,6-7,9-10,12H2,1-2H3
• InChIKey: DACBZTRJBPVVOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}piperidin-4-yl)oxy]methyl}pyridine
• IUPAC Traditional name: 2-{[(1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}piperidin-4-yl)oxy]methyl}pyridine
• Synonyms: 5,7-dimethyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrido[2,3-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.412638
• LogD (pH = 7.4): 2.4289365
• Log P: 2.4291463
• Molar Refractivity: 103.0002 cm^3
• Polarizability: 38.853516 Å^3
• Polar Surface Area: 64.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.52
• LOG S: -1.75
• Polar Surface Area: 64.03 Å^2
• Rotatable Bonds: 4