ChemSpider 2D Image | 2-{4-[4-Amino-3-(4-{[(3-fluorophenyl)carbamoyl]amino}phenyl)thieno[3,2-c]pyridin-7-yl]-1H-pyrazol-1-yl}-2-methylpropanamide | C27H24FN7O2S

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

  • Molecular FormulaC27H24FN7O2S
  • Average mass529.589 Da
  • Monoisotopic mass529.169617 Da
  • ChemSpider ID24809064

More details:

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

1H-Pyrazole-1-acetamide, 4-[4-amino-3-[4-[[[(3-fluorophenyl)amino]carbonyl]amino]phenyl]thieno[3,2-c]pyridin-7-yl]-α,α-dimethyl- [ACD/Index Name]
2-{4-[4-Amino-3-(4-{[(3-fluorophenyl)carbamoyl]amino}phenyl)thieno[3,2-c]pyridin-7-yl]-1H-pyrazol-1-yl}-2-methylpropanamide [ACD/IUPAC Name]
2-{4-[4-Amino-3-(4-{[(3-fluorophényl)carbamoyl]amino}phényl)thiéno[3,2-c]pyridin-7-yl]-1H-pyrazol-1-yl}-2-méthylpropanamide [French] [ACD/IUPAC Name]
2-{4-[4-Amino-3-(4-{[(3-fluorphenyl)carbamoyl]amino}phenyl)thieno[3,2-c]pyridin-7-yl]-1H-pyrazol-1-yl}-2-methylpropanamid [German] [ACD/IUPAC Name]
Kinome_533

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

Density: 1.5±0.1 g/cm3
Boiling Point: 722.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 390.9±32.9 °C
Index of Refraction: 1.723
Molar Refractivity: 143.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 361.50
ACD/KOC (pH 5.5): 1751.40
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1004.86
ACD/KOC (pH 7.4): 4868.30
Polar Surface Area: 169 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 362.8±7.0 cm3

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