Found 2132 results

Search term: MF = 'C_{22}H_{22}N_{6}O'
ChemSpider 2D Image | Btk inhibitor 1 R enantiomer | C22H22N6O

Btk inhibitor 1 R enantiomer

  • Molecular FormulaC22H22N6O
  • Average mass386.450 Da
  • Monoisotopic mass386.185516 Da
  • ChemSpider ID29278614

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1022150-12-4 [RN]
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-1-(3-piperidinyl)- [ACD/Index Name]
3-(4-Phenoxyphenyl)-1-(3-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-(4-Phenoxyphenyl)-1-(3-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-(4-Phénoxyphényl)-1-(3-pipéridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
Btk inhibitor 1 R enantiomer
(R)-3-(4-Phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
(Rac)-IBT6A
1412418-47-3 [RN]
1-Propanol, 3-(aminooxy)- [ACD/Index Name]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Btk MedChem Express HY-13036
      Btk inhibitor 1 is a pyrazolo[3,4-d]pyrimidine derivative as a Btk kinase inhibitor. MedChem Express
      Btk inhibitor 1 is a pyrazolo[3,4-d]pyrimidine derivative as a Btk kinase inhibitor.; IC50 value:; Target: Btk; From PCT Int. MedChem Express HY-13036
      Btk inhibitor 1 is a pyrazolo[3,4-d]pyrimidine derivative as a Btk kinase inhibitor.;IC50 value:;Target: BtkFrom PCT Int. Appl. (2012), WO 2012158843 A2 20121122. MedChem Express HY-13036
      Protein Tyrosine Kinase/RTK MedChem Express HY-13036
      Protein Tyrosine Kinase/RTK; MedChem Express HY-13036

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 626.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.6±31.5 °C
Index of Refraction: 1.731
Molar Refractivity: 110.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 2.90
ACD/KOC (pH 7.4): 27.98
Polar Surface Area: 91 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 276.9±7.0 cm3

Click to predict properties on the Chemicalize site


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