ChemSpider 2D Image | 1-{[5-(3-Methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy}-3-[3-(trifluoromethyl)phenyl]-2-propanamine | C22H20F3N5O

1-{[5-(3-Methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy}-3-[3-(trifluoromethyl)phenyl]-2-propanamine

  • Molecular FormulaC22H20F3N5O
  • Average mass427.422 Da
  • Monoisotopic mass427.161987 Da
  • ChemSpider ID24808371

More details:

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

1-{[5-(3-Methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy}-3-[3-(trifluormethyl)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-{[5-(3-Methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy}-3-[3-(trifluoromethyl)phenyl]-2-propanamine [ACD/IUPAC Name]
1-{[5-(3-Méthyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy}-3-[3-(trifluorométhyl)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-[[[5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]oxy]methyl]-3-(trifluoromethyl)- [ACD/Index Name]
Kinome_3513

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

Density: 1.3±0.1 g/cm3
Boiling Point: 623.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.0±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 4.55
ACD/KOC (pH 5.5): 38.02
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 112.49
ACD/KOC (pH 7.4): 939.27
Polar Surface Area: 90 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 318.4±3.0 cm3

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