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

• ChemBase ID: 771465
• Molecular Formular: C20H25N5O
• Molecular Mass: 351.4454
• Monoisotopic Mass: 351.20591045
• SMILES: n12c(N3CC(OCc4ncccc4)CCC3)cc(nc1ccn2)CCC
• Canonical SMILES: CCCc1cc(N2CCCC(C2)OCc2ccccn2)n2c(n1)ccn2
• InChI: InChI=1S/C20H25N5O/c1-2-6-16-13-20(25-19(23-16)9-11-22-25)24-12-5-8-18(14-24)26-15-17-7-3-4-10-21-17/h3-4,7,9-11,13,18H,2,5-6,8,12,14-15H2,1H3
• InChIKey: DYFSRPQUARFEOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(1-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-3-yl)oxy]methyl}pyridine
• IUPAC Traditional name: 2-{[(1-{5-propylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-3-yl)oxy]methyl}pyridine
• Synonyms: 5-propyl-7-[3-(2-pyridinylmethoxy)-1-piperidinyl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.1254585
• LogD (pH = 7.4): 3.1335397
• Log P: 3.1336439
• Molar Refractivity: 111.4631 cm^3
• Polarizability: 38.670948 Å^3
• Polar Surface Area: 55.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.58
• LOG S: -2.67
• Polar Surface Area: 55.55 Å^2
• Rotatable Bonds: 6