ChemSpider 2D Image | (4R)-1-{[3-Acetyl-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl}-N-{[(1S)-2,2-dichlorocyclopropyl]methyl}-4-fluoro-L-prolinamide | C25H25Cl2FN6O3

(4R)-1-{[3-Acetyl-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl}-N-{[(1S)-2,2-dichlorocyclopropyl]methyl}-4-fluoro-L-prolinamide

  • Molecular FormulaC25H25Cl2FN6O3
  • Average mass547.409 Da
  • Monoisotopic mass546.134949 Da
  • ChemSpider ID129086691

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R)-1-{[3-Acetyl-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl}-N-{[(1S)-2,2-dichlorcyclopropyl]methyl}-4-fluor-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-1-{[3-Acetyl-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl}-N-{[(1S)-2,2-dichlorocyclopropyl]methyl}-4-fluoro-L-prolinamide [ACD/IUPAC Name]
(4R)-1-{2-[3-Acétyl-5-(2-méthyl-5-pyrimidinyl)-1H-indazol-1-yl]acétyl}-N-{[(1S)-2,2-dichlorocyclopropyl]méthyl}-4-fluoro-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[2-[3-acetyl-5-(2-methyl-5-pyrimidinyl)-1H-indazol-1-yl]acetyl]-N-[[(1S)-2,2-dichlorocyclopropyl]methyl]-4-fluoro-, (2S,4R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 818.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 448.6±34.3 °C
Index of Refraction: 1.713
Molar Refractivity: 136.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 4.99
ACD/KOC (pH 5.5): 110.02
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 4.99
ACD/KOC (pH 7.4): 110.02
Polar Surface Area: 110 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 349.3±7.0 cm3

Click to predict properties on the Chemicalize site


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