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Search term: UISPWIYAJNBEMU-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | TCMDC-123909 | C22H27ClN4O

TCMDC-123909

  • Molecular FormulaC22H27ClN4O
  • Average mass398.929 Da
  • Monoisotopic mass398.187347 Da
  • ChemSpider ID24576473

More details:

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

1-(4-Chlorophenyl)-5-[(cyclopentylamino)methyl]-3-(2-methyl-2-propanyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one [ACD/IUPAC Name]
1-(4-Chlorophényl)-5-[(cyclopentylamino)méthyl]-3-(2-méthyl-2-propanyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one [French] [ACD/IUPAC Name]
1-(4-Chlorphenyl)-5-[(cyclopentylamino)methyl]-3-(2-methyl-2-propanyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-on [German] [ACD/IUPAC Name]
3-tert-Butyl-1-(4-chlorophenyl)-5-[(cyclopentylamino)methyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
6H-Pyrazolo[3,4-b]pyridin-6-one, 1-(4-chlorophenyl)-5-[(cyclopentylamino)methyl]-3-(1,1-dimethylethyl)-1,7-dihydro- [ACD/Index Name]
TCMDC-123909
3-tert-butyl-1-(4-chlorophenyl)-5-[(cyclopentylamino)methyl]-7H-pyrazolo[3,4-b]pyridin-6-one
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.234230177 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: 576.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.7±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 112.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 5.55
ACD/KOC (pH 5.5): 21.19
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 261.16
ACD/KOC (pH 7.4): 997.03
Polar Surface Area: 59 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 306.8±7.0 cm3

Click to predict properties on the Chemicalize site


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