Found 15 results

Search term: MF = 'C_{29}H_{33}F_{3}N_{6}O_{4}S'
ChemSpider 2D Image | 1-{5-(Methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}-3-[4-(5-oxido-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-piperidinyl]-2-propanol | C29H33F3N6O4S

1-{5-(Methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}-3-[4-(5-oxido-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-piperidinyl]-2-propanol

  • Molecular FormulaC29H33F3N6O4S
  • Average mass618.670 Da
  • Monoisotopic mass618.223633 Da
  • ChemSpider ID11326665

More details:

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

1-{5-(Methylsulfonyl)-3-[4-(trifluormethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}-3-[4-(5-oxido-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-piperidinyl]-2-propanol [German] [ACD/IUPAC Name]
1-{5-(Methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}-3-[4-(5-oxido-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-piperidinyl]-2-propanol [ACD/IUPAC Name]
1-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}-3-[4-(5-oxido-1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]propan-2-ol
1-{5-(Méthylsulfonyl)-3-[4-(trifluorométhyl)phényl]-4,5,6,7-tétrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}-3-[4-(5-oxydo-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-pipéridinyl]-2-propanol [French] [ACD/IUPAC Name]
1H-Pyrazolo[4,3-c]pyridine-1-ethanol, 4,5,6,7-tetrahydro-5-(methylsulfonyl)-α-[[4-(5-oxido-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-piperidinyl]methyl]-3-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-3-[4-(5-oxy-1H-pyrrolo[3,2-c]pyridin-3-yl)-piperidin-1-yl]-propan-2-ol
CHEMBL397817
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL397817/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 876.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 484.1±37.1 °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: 1.63
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 3.94
ACD/KOC (pH 7.4): 55.73
Polar Surface Area: 128 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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