ChemSpider 2D Image | N-[2-(1-Cyclohexen-1-yl)ethyl]-2-{4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}acetamide | C24H30N8O

N-[2-(1-Cyclohexen-1-yl)ethyl]-2-{4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}acetamide

  • Molecular FormulaC24H30N8O
  • Average mass446.548 Da
  • Monoisotopic mass446.254272 Da
  • ChemSpider ID29249855

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine-1-acetamide, N-[2-(1-cyclohexen-1-yl)ethyl]-4-[4-(2-pyridinyl)-1-piperazinyl]- [ACD/Index Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-2-{4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}acetamid [German] [ACD/IUPAC Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-2-{4-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}acetamide [ACD/IUPAC Name]
N-[2-(1-Cyclohexén-1-yl)éthyl]-2-{4-[4-(2-pyridinyl)-1-pipérazinyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.5±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.45
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 8.01
ACD/KOC (pH 7.4): 77.44
Polar Surface Area: 92 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 329.2±7.0 cm3

Click to predict properties on the Chemicalize site


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