2-({2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-1-(pyridin-4-yl)ethan-1-ol

• ChemBase ID: 523201
• Molecular Formular: C20H19N5O
• Molecular Mass: 345.39776
• Monoisotopic Mass: 345.15896025
• SMILES: n12c(nc(cc1NCC(c1ccncc1)O)c1ccccc1)cc(n2)C
• Canonical SMILES: Cc1cc2n(n1)c(NCC(c1ccncc1)O)cc(n2)c1ccccc1
• InChI: InChI=1S/C20H19N5O/c1-14-11-20-23-17(15-5-3-2-4-6-15)12-19(25(20)24-14)22-13-18(26)16-7-9-21-10-8-16/h2-12,18,22,26H,13H2,1H3
• InChIKey: XNFGDLZQGKBFDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-1-(pyridin-4-yl)ethan-1-ol
• IUPAC Traditional name: 2-({2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-1-(pyridin-4-yl)ethanol
• Synonyms: 2-[(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-pyridin-4-ylethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.93996
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.1529336
• LogD (pH = 7.4): 2.2544475
• Log P: 2.2559533
• Molar Refractivity: 110.9946 cm^3
• Polarizability: 39.24043 Å^3
• Polar Surface Area: 75.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.42
• LOG S: -2.48
• Polar Surface Area: 75.34 Å^2
• Rotatable Bonds: 5