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Search term: OHGFFZPHDXPGML-QFIPXVFZSA-O (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[1-(2-Hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)-4-piperidinyl]-5H-pyrrolo[3,2-c]pyridin-5-ol | C29H33F3N6O4S

3-[1-(2-Hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)-4-piperidinyl]-5H-pyrrolo[3,2-c]pyridin-5-ol

  • Molecular FormulaC29H33F3N6O4S
  • Average mass618.670 Da
  • Monoisotopic mass618.223633 Da
  • ChemSpider ID8386689

More details:

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

1H-Pyrazolo[4,3-c]pyridine-1-ethanol, 4,5,6,7-tetrahydro-α-[[4-(5-hydroxy-5H-pyrrolo[3,2-c]pyridin-3-yl)-1-piperidinyl]methyl]-5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-[1-(2-Hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluormethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)-4-piperidinyl]-5H-pyrrolo[3,2-c]pyridin-5-ol [German] [ACD/IUPAC Name]
3-[1-(2-Hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)-4-piperidinyl]-5H-pyrrolo[3,2-c]pyridin-5-ol [ACD/IUPAC Name]
3-[1-(2-Hydroxy-3-{5-(méthylsulfonyl)-3-[4-(trifluorométhyl)phényl]-4,5,6,7-tétrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl)-4-pipéridinyl]-5H-pyrrolo[3,2-c]pyridin-5-ol [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: 782.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.2±35.7 °C
Index of Refraction: 1.680
Molar Refractivity: 154.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.37
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 408.0±7.0 cm3

Click to predict properties on the Chemicalize site


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