ChemSpider 2D Image | RN486 | C35H35FN6O3

RN486

  • Molecular FormulaC35H35FN6O3
  • Average mass606.689 Da
  • Monoisotopic mass606.275452 Da
  • ChemSpider ID28513205

More details:

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

1(2H)-Isoquinolinone, 6-cyclopropyl-2-[3-[1,6-dihydro-1-methyl-5-[[5-(4-methyl-1-piperazinyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2-(hydroxymethyl)phenyl]-8-fluoro- [ACD/Index Name]
1242156-23-5 [RN]
6-Cyclopropyl-8-fluor-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methyl-1-piperazinyl)-2-pyridinyl]amino}-6-oxo-1,6-dihydro-3-pyridinyl)phenyl]-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
6-Cyclopropyl-8-fluoro-2-[2-(hydroxyméthyl)-3-(1-méthyl-5-{[5-(4-méthyl-1-pipérazinyl)-2-pyridinyl]amino}-6-oxo-1,6-dihydro-3-pyridinyl)phényl]-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
6-Cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methyl-1-piperazinyl)-2-pyridinyl]amino}-6-oxo-1,6-dihydro-3-pyridinyl)phenyl]-1(2H)-isoquinolinone [ACD/IUPAC Name]
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1,2-dihydroisoquinolin-1-one
6-CYCLOPROPYL-8-FLUORO-2-[2-(HYDROXYMETHYL)-3-(1-METHYL-5-{[5-(4-METHYLPIPERAZIN-1-YL)PYRIDIN-2-YL]AMINO}-6-OXOPYRIDIN-3-YL)PHENYL]ISOQUINOLIN-1-ONE
RN486
RN-486
[1242156-23-5] [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      BTK inhibitor TargetMol T1976

    • Bio Activity:

      Angiogenesis TargetMol T1976
      Btk MedChem Express HY-18018
      BTK TargetMol T1976
      Protein Tyrosine Kinase/RTK MedChem Express HY-18018
      Protein Tyrosine Kinase/RTK; MedChem Express HY-18018
      RN486 is a selective Btk inhibitor with an IC50 Value of 4.0 nM. MedChem Express
      RN486 is a selective Btk inhibitor with an IC50 Value of 4.0 nM.; IC50 Value: 4.0 nM [1]; Target: Btk Kinase; in vitro: In the enzymatic assay, the compound potently inhibited Btk kinase activity with an IC50 of 4.0 nM. MedChem Express HY-18018

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

Density: 1.4±0.1 g/cm3
Boiling Point: 868.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 479.1±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 169.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 24.23
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 94.35
ACD/KOC (pH 7.4): 848.73
Polar Surface Area: 92 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 440.1±3.0 cm3

Click to predict properties on the Chemicalize site


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