ChemSpider 2D Image | 1-[3-(2-Methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-{(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]-3-pyrrolidinyl}urea | C25H24F3N7O

1-[3-(2-Methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-{(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]-3-pyrrolidinyl}urea

  • Molecular FormulaC25H24F3N7O
  • Average mass495.500 Da
  • Monoisotopic mass495.199432 Da
  • ChemSpider ID58904289

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[3-(2-Methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-{(3R,4S)-1-methyl-4-[2-(trifluormethyl)phenyl]-3-pyrrolidinyl}harnstoff [German] [ACD/IUPAC Name]
1-[3-(2-Methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-{(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]-3-pyrrolidinyl}urea [ACD/IUPAC Name]
1-[3-(2-Méthyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-{(3R,4S)-1-méthyl-4-[2-(trifluorométhyl)phényl]-3-pyrrolidinyl}urée [French] [ACD/IUPAC Name]
Urea, N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-N'-[(3R,4S)-1-methyl-4-[2-(trifluoromethyl)phenyl]-3-pyrrolidinyl]- [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: 650.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.2±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 127.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 7.47
ACD/KOC (pH 7.4): 66.13
Polar Surface Area: 99 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 345.9±5.0 cm3

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