ChemSpider 2D Image | 3-[(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide | C29H25F3N8O

3-[(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

  • Molecular FormulaC29H25F3N8O
  • Average mass558.557 Da
  • Monoisotopic mass558.210327 Da
  • ChemSpider ID129043545

More details:

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

3-[(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethinyl]-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluormethyl)phenyl]benzamid [German] [ACD/IUPAC Name]
3-[(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide [ACD/IUPAC Name]
3-[(4-Amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)éthynyl]-4-méthyl-N-[3-(4-méthyl-1H-imidazol-1-yl)-5-(trifluorométhyl)phényl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[2-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl]-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]- [ACD/Index 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: 702.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.5±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 381.98
ACD/KOC (pH 5.5): 1881.21
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 954.57
ACD/KOC (pH 7.4): 4701.21
Polar Surface Area: 117 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 405.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement