ChemSpider 2D Image | TCMDC-134147 | C20H20ClN5

TCMDC-134147

  • Molecular FormulaC20H20ClN5
  • Average mass365.859 Da
  • Monoisotopic mass365.140717 Da
  • ChemSpider ID24574128

More details:

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

1-{3-[5-Chlor-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}-N,N-dimethylmethanamin [German] [ACD/IUPAC Name]
1-{3-[5-Chloro-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}-N,N-dimethylmethanamine [ACD/IUPAC Name]
1-{3-[5-Chloro-4-(1-méthyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phényl}-N,N-diméthylméthanamine [French] [ACD/IUPAC Name]
benzenemethanamine, 3-[5-chloro-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethyl- [ACD/Index Name]
TCMDC-134147
({3-[5-chloro-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}methyl)dimethylamine
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.905424623 GlaxoSmithKline Malaria Set

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.8±30.1 °C
Index of Refraction: 1.670
Molar Refractivity: 105.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 5.72
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 35.28
ACD/KOC (pH 7.4): 182.21
Polar Surface Area: 50 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 282.8±7.0 cm3

Click to predict properties on the Chemicalize site


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