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Search term: QMRXULKWYQUBRF-XMMPIXPASA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{[5-(5-Acetyl-1-{2-hydroxy-3-[4-(2-hydroxy-2-propanyl)-1-piperidinyl]propyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenyl]sulfanyl}-1-(1-pyrrolidinyl)ethanone | C32H44F3N5O4S

2-{[5-(5-Acetyl-1-{2-hydroxy-3-[4-(2-hydroxy-2-propanyl)-1-piperidinyl]propyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenyl]sulfanyl}-1-(1-pyrrolidinyl)ethanone

  • Molecular FormulaC32H44F3N5O4S
  • Average mass651.783 Da
  • Monoisotopic mass651.306580 Da
  • ChemSpider ID24679147

More details:

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

2-{[5-(5-Acetyl-1-{2-hydroxy-3-[4-(2-hydroxy-2-propanyl)-1-piperidinyl]propyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluormethyl)phenyl]sulfanyl}-1-(1-pyrrolidinyl)ethanon [German] [ACD/IUPAC Name]
2-{[5-(5-Acetyl-1-{2-hydroxy-3-[4-(2-hydroxy-2-propanyl)-1-piperidinyl]propyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenyl]sulfanyl}-1-(1-pyrrolidinyl)ethanone [ACD/IUPAC Name]
2-{[5-(5-Acétyl-1-{2-hydroxy-3-[4-(2-hydroxy-2-propanyl)-1-pipéridinyl]propyl}-4,5,6,7-tétrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluorométhyl)phényl]sulfanyl}-1-(1-pyrrolidinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[[5-[5-acetyl-4,5,6,7-tetrahydro-1-[2-hydroxy-3-[4-(1-hydroxy-1-methylethyl)-1-piperidinyl]propyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]thio]-1-(1-pyrrolidinyl)- [ACD/Index Name]
rac-2-(5-(5-acetyl-1-(2-hydroxy-3-(4-(2-hydroxypropan-2-yl)piperidin-1-yl)propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(trifluoromethyl)phenylthio)-1-(pyrrolidin-1-yl)ethanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 816.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 447.4±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 167.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.32
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 18.23
ACD/KOC (pH 7.4): 124.00
Polar Surface Area: 127 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 472.3±7.0 cm3

Click to predict properties on the Chemicalize site


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