ChemSpider 2D Image | TCMDC-135036 | C29H35N7

TCMDC-135036

  • Molecular FormulaC29H35N7
  • Average mass481.635 Da
  • Monoisotopic mass481.295380 Da
  • ChemSpider ID24575096

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 3-[4-[[(2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]-1-methyl-N-[3-(1-pyrrolidinyl)propyl]- [ACD/Index Name]
3-{4-[(2,3-Dihydro-1H-inden-1-ylamino)methyl]phenyl}-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amin [German] [ACD/IUPAC Name]
3-{4-[(2,3-Dihydro-1H-inden-1-ylamino)methyl]phenyl}-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine [ACD/IUPAC Name]
3-{4-[(2,3-Dihydro-1H-indén-1-ylamino)méthyl]phényl}-1-méthyl-N-[3-(1-pyrrolidinyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine [French] [ACD/IUPAC Name]
3-{4-[(2,3-Dihydro-1H-inden-1-ylamino)methyl]phenyl}-1-methyl-N-[3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
TCMDC-135036
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 1.112005307 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: 692.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.5±34.3 °C
Index of Refraction: 1.701
Molar Refractivity: 143.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 6.22
Polar Surface Area: 71 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 372.0±7.0 cm3

Click to predict properties on the Chemicalize site


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