ChemSpider 2D Image | 4-Fluoro-2-[(2-{[2-methoxy-4-(1-propyl-4-piperidinyl)phenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide | C28H32FN7O2

4-Fluoro-2-[(2-{[2-methoxy-4-(1-propyl-4-piperidinyl)phenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide

  • Molecular FormulaC28H32FN7O2
  • Average mass517.598 Da
  • Monoisotopic mass517.260132 Da
  • ChemSpider ID24696851

More details:

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

4-Fluor-2-[(2-{[2-methoxy-4-(1-propyl-4-piperidinyl)phenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamid [German] [ACD/IUPAC Name]
4-Fluoro-2-[(2-{[2-methoxy-4-(1-propyl-4-piperidinyl)phenyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide [ACD/IUPAC Name]
4-Fluoro-2-[(2-{[2-méthoxy-4-(1-propyl-4-pipéridinyl)phényl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-fluoro-2-[[2-[[2-methoxy-4-(1-propyl-4-piperidinyl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]- [ACD/Index Name]
4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 9
GSK1326255A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL476259/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 725.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.4±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 147.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 14.43
ACD/KOC (pH 7.4): 64.52
Polar Surface Area: 121 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 393.7±3.0 cm3

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