ChemSpider 2D Image | N-{4-[(1S,4S)-2,5-Diazabicyclo[2.2.1]hept-2-yl]-7-fluoro-1-(2-methoxyethyl)-1H-indazol-5-yl}-2-(2-fluoro-6-methoxyphenyl)-4-pyrimidinecarboxamide | C27H27F2N7O3

N-{4-[(1S,4S)-2,5-Diazabicyclo[2.2.1]hept-2-yl]-7-fluoro-1-(2-methoxyethyl)-1H-indazol-5-yl}-2-(2-fluoro-6-methoxyphenyl)-4-pyrimidinecarboxamide

  • Molecular FormulaC27H27F2N7O3
  • Average mass535.545 Da
  • Monoisotopic mass535.214355 Da
  • ChemSpider ID129112830

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Pyrimidinecarboxamide, N-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl]-7-fluoro-1-(2-methoxyethyl)-1H-indazol-5-yl]-2-(2-fluoro-6-methoxyphenyl)- [ACD/Index Name]
N-{4-[(1S,4S)-2,5-Diazabicyclo[2.2.1]hept-2-yl]-7-fluor-1-(2-methoxyethyl)-1H-indazol-5-yl}-2-(2-fluor-6-methoxyphenyl)-4-pyrimidincarboxamid [German] [ACD/IUPAC Name]
N-{4-[(1S,4S)-2,5-Diazabicyclo[2.2.1]hept-2-yl]-7-fluoro-1-(2-methoxyethyl)-1H-indazol-5-yl}-2-(2-fluoro-6-methoxyphenyl)-4-pyrimidinecarboxamide [ACD/IUPAC Name]
N-{4-[(1S,4S)-2,5-Diazabicyclo[2.2.1]hept-2-yl]-7-fluoro-1-(2-méthoxyéthyl)-1H-indazol-5-yl}-2-(2-fluoro-6-méthoxyphényl)-4-pyrimidinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 596.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.5±30.1 °C
Index of Refraction: 1.705
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 354.9±7.0 cm3

Click to predict properties on the Chemicalize site


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