ChemSpider 2D Image | Methyl (2E)-3-{3-[(Z)-({[6-cyclopropyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]-4-hydroxyphenyl}acrylate | C28H24FN5O4

Methyl (2E)-3-{3-[(Z)-({[6-cyclopropyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]-4-hydroxyphenyl}acrylate

  • Molecular FormulaC28H24FN5O4
  • Average mass513.520 Da
  • Monoisotopic mass513.181213 Da
  • ChemSpider ID101391121

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{3-[(Z)-({[6-Cyclopropyl-1-(4-fluorophényl)-3-méthyl-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)méthyl]-4-hydroxyphényl}acrylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-cyclopropyl-1-(4-fluorophenyl)-3-methyl-, 2-[(1Z)-[2-hydroxy-5-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]phenyl]methylene]hydrazide [ACD/Index Name]
Methyl (2E)-3-{3-[(Z)-({[6-cyclopropyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]-4-hydroxyphenyl}acrylate [ACD/IUPAC Name]
Methyl-(2E)-3-{3-[(Z)-({[6-cyclopropyl-1-(4-fluorphenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]-4-hydroxyphenyl}acrylat [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 138.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1213.22
ACD/KOC (pH 5.5): 5583.62
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 514.48
ACD/KOC (pH 7.4): 2367.81
Polar Surface Area: 119 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 369.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement