ChemSpider 2D Image | 1-(4-{4-Amino-7-[1-(2-hydroxypropyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorophenyl)urea | C26H23FN6O2S

1-(4-{4-Amino-7-[1-(2-hydroxypropyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorophenyl)urea

  • Molecular FormulaC26H23FN6O2S
  • Average mass502.563 Da
  • Monoisotopic mass502.158722 Da
  • ChemSpider ID24809072

More details:

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

1-(4-{4-Amino-7-[1-(2-hydroxypropyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorophenyl)urea [ACD/IUPAC Name]
1-(4-{4-Amino-7-[1-(2-hydroxypropyl)-1H-pyrazol-4-yl]thiéno[3,2-c]pyridin-3-yl}phényl)-3-(3-fluorophényl)urée [French] [ACD/IUPAC Name]
1-(4-{4-Amino-7-[1-(2-hydroxypropyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorphenyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-[4-[4-amino-7-[1-(2-hydroxypropyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-N'-(3-fluorophenyl)- [ACD/Index Name]
Kinome_504

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

Density: 1.5±0.1 g/cm3
Boiling Point: 677.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 363.4±31.5 °C
Index of Refraction: 1.723
Molar Refractivity: 136.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 275.53
ACD/KOC (pH 5.5): 1284.44
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1132.85
ACD/KOC (pH 7.4): 5281.05
Polar Surface Area: 146 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 345.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement