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Search term: NUUMMLYSKRRLTQ-INIZCTEOSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 1-Cyclopentyl-N-[(2S)-1-{[1-(6-fluoro-3-pyridinyl)-1H-indazol-4-yl]amino}-2-propanyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide | C25H30FN7O2S

1-Cyclopentyl-N-[(2S)-1-{[1-(6-fluoro-3-pyridinyl)-1H-indazol-4-yl]amino}-2-propanyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

  • Molecular FormulaC25H30FN7O2S
  • Average mass511.615 Da
  • Monoisotopic mass511.216583 Da
  • ChemSpider ID34254302
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-Cyclopentyl-N-[(2S)-1-{[1-(6-fluor-3-pyridinyl)-1H-indazol-4-yl]amino}-2-propanyl]-3,5-dimethyl-1H-pyrazol-4-sulfonamid [German] [ACD/IUPAC Name]
1-Cyclopentyl-N-[(2S)-1-{[1-(6-fluoro-3-pyridinyl)-1H-indazol-4-yl]amino}-2-propanyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide [ACD/IUPAC Name]
1-Cyclopentyl-N-[(2S)-1-{[1-(6-fluoro-3-pyridinyl)-1H-indazol-4-yl]amino}-2-propanyl]-3,5-diméthyl-1H-pyrazole-4-sulfonamide [French] [ACD/IUPAC Name]
1H-Pyrazole-4-sulfonamide, 1-cyclopentyl-N-[(1S)-2-[[1-(6-fluoro-3-pyridinyl)-1H-indazol-4-yl]amino]-1-methylethyl]-3,5-dimethyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 692.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.8±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 137.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 201.05
ACD/KOC (pH 5.5): 1549.88
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 201.00
ACD/KOC (pH 7.4): 1549.49
Polar Surface Area: 115 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 357.7±7.0 cm3

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