ChemSpider 2D Image | PF-4800567 | C17H18ClN5O2

PF-4800567

  • Molecular FormulaC17H18ClN5O2
  • Average mass359.810 Da
  • Monoisotopic mass359.114899 Da
  • ChemSpider ID26325201

More details:






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3-[(3-Chlorophénoxy)méthyl]-1-(tétrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
PF-4800567 [Wiki]
1188296-52-7 [RN]
16W
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-[(3-chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
3-((3-chlorophenoxy)methyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
3-(3-Chloro-phenoxymethyl)-1-(tetrahydro-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine
3-[(3-Chlorophenoxy)methyl]-1-(oxan-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
3-[(3-chlorophenoxy)methyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
3-[(3-Chlorophenoxy)methyl]-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1792
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1792
      no pictogram Axon Medchem 1792
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1792
      Warning Axon Medchem 1792
    • Chemical Class:

      A pyrazolopyrimidine that is 1<element>H</element>-pyrazolo[3,4-<ital>d</ital>]pyrimidin-4-amine which is substituted at positions 1 and 3 by tetrahydro-2<element>H</element>-pyran-4-yl and (<ital>m</ ital>-chlorophenoxy)methyl groups, respectively. It is a selective inhibitor of the <greek>epsilon</greek> isoform of casein kinase 1 (CK1<greek>epsilon</greek>). ChEBI CHEBI:87237

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 592.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.4±30.1 °C
Index of Refraction: 1.718
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.46
ACD/KOC (pH 5.5): 414.87
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.92
ACD/KOC (pH 7.4): 433.53
Polar Surface Area: 88 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 236.2±7.0 cm3

Click to predict properties on the Chemicalize site





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