ChemSpider 2D Image | N-[3-(Diethylamino)propyl]-4-[4-(2-fluorophenyl)-1-piperazinyl]-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | C25H34FN7O

N-[3-(Diethylamino)propyl]-4-[4-(2-fluorophenyl)-1-piperazinyl]-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

  • Molecular FormulaC25H34FN7O
  • Average mass467.582 Da
  • Monoisotopic mass467.280884 Da
  • ChemSpider ID125804999

More details:

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

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxamide, N-[3-(diethylamino)propyl]-4-[4-(2-fluorophenyl)-1-piperazinyl]-7-methyl- [ACD/Index Name]
N-[3-(Diethylamino)propyl]-4-[4-(2-fluorophenyl)-1-piperazinyl]-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
N-[3-(Diéthylamino)propyl]-4-[4-(2-fluorophényl)-1-pipérazinyl]-7-méthyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
N-[3-(Diethylamino)propyl]-4-[4-(2-fluorphenyl)-1-piperazinyl]-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 688.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.0±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 132.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.92
Polar Surface Area: 70 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 375.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement