ChemSpider 2D Image | N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine | C22H21FN8O

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine

  • Molecular FormulaC22H21FN8O
  • Average mass432.453 Da
  • Monoisotopic mass432.182251 Da
  • ChemSpider ID25054221

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-2-[4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-pyrrolidinyl](6-fluoro-3-pyridinyl)methanone
[(2S)-2-{4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-1-pyrrolidinyl](6-fluor-3-pyridinyl)methanon [German] [ACD/IUPAC Name]
[(2S)-2-{4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-1-pyrrolidinyl](6-fluoro-3-pyridinyl)methanone [ACD/IUPAC Name]
[(2S)-2-{4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-1-pyrrolidinyl](6-fluoro-3-pyridinyl)méthanone [French] [ACD/IUPAC Name]
1072811-25-6 [RN]
Methanone, [(2S)-2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-pyrrolidinyl](6-fluoro-3-pyridinyl)- [ACD/Index Name]
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.821
Molar Refractivity: 115.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.00
ACD/KOC (pH 5.5): 125.05
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.07
ACD/KOC (pH 7.4): 126.49
Polar Surface Area: 104 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 70.0±7.0 dyne/cm
Molar Volume: 265.4±7.0 cm3

Click to predict properties on the Chemicalize site


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