ChemSpider 2D Image | 9-Cyclopentyl-8-fluoro-N-{5-[(3S)-3-methyl-1-piperazinyl]-2-pyridinyl}-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine | C24H27FN8

9-Cyclopentyl-8-fluoro-N-{5-[(3S)-3-methyl-1-piperazinyl]-2-pyridinyl}-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine

  • Molecular FormulaC24H27FN8
  • Average mass446.523 Da
  • Monoisotopic mass446.234283 Da
  • ChemSpider ID58888312

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

9-Cyclopentyl-8-fluor-N-{5-[(3S)-3-methyl-1-piperazinyl]-2-pyridinyl}-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amin [German] [ACD/IUPAC Name]
9-Cyclopentyl-8-fluoro-N-{5-[(3S)-3-methyl-1-piperazinyl]-2-pyridinyl}-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine [ACD/IUPAC Name]
9-Cyclopentyl-8-fluoro-N-{5-[(3S)-3-méthyl-1-pipérazinyl]-2-pyridinyl}-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine [French] [ACD/IUPAC Name]
9H-Pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine, 9-cyclopentyl-8-fluoro-N-[5-[(3S)-3-methyl-1-piperazinyl]-2-pyridinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 668.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.8±34.3 °C
Index of Refraction: 1.765
Molar Refractivity: 123.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 38.03
Polar Surface Area: 84 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 299.3±7.0 cm3

Click to predict properties on the Chemicalize site


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