2-{[(1-{2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-3-yl)oxy]methyl}pyridine

• ChemBase ID: 404583
• Molecular Formular: C19H23N5O
• Molecular Mass: 337.41882
• Monoisotopic Mass: 337.19026038
• SMILES: n12c(nc(cc1N1CC(OCc3ncccc3)CCC1)C)cc(n2)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2N1CCCC(C1)OCc1ccccn1)C
• InChI: InChI=1S/C19H23N5O/c1-14-11-19(24-18(21-14)10-15(2)22-24)23-9-5-7-17(12-23)25-13-16-6-3-4-8-20-16/h3-4,6,8,10-11,17H,5,7,9,12-13H2,1-2H3
• InChIKey: FCZWHJFFHFUDTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.111391
• LogD (pH = 7.4): 2.1198013
• Log P: 2.1199095
• Molar Refractivity: 106.8267 cm^3
• Polarizability: 36.750904 Å^3
• Polar Surface Area: 55.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.97
• LOG S: -2.04
• Polar Surface Area: 55.55 Å^2
• Rotatable Bonds: 4