ChemSpider 2D Image | N-{5-[(4-{5-Cyano-6-[(3S)-3-fluoro-1-pyrrolidinyl]-3-pyridinyl}-2-pyrimidinyl)amino]-2-pyridinyl}-2-methylalaninamide | C23H24FN9O

N-{5-[(4-{5-Cyano-6-[(3S)-3-fluoro-1-pyrrolidinyl]-3-pyridinyl}-2-pyrimidinyl)amino]-2-pyridinyl}-2-methylalaninamide

  • Molecular FormulaC23H24FN9O
  • Average mass461.495 Da
  • Monoisotopic mass461.208771 Da
  • ChemSpider ID76824254

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-{5-[(4-{5-Cyan-6-[(3S)-3-fluor-1-pyrrolidinyl]-3-pyridinyl}-2-pyrimidinyl)amino]-2-pyridinyl}-2-methylalaninamid [German] [ACD/IUPAC Name]
N-{5-[(4-{5-Cyano-6-[(3S)-3-fluoro-1-pyrrolidinyl]-3-pyridinyl}-2-pyrimidinyl)amino]-2-pyridinyl}-2-methylalaninamide [ACD/IUPAC Name]
N-{5-[(4-{5-Cyano-6-[(3S)-3-fluoro-1-pyrrolidinyl]-3-pyridinyl}-2-pyrimidinyl)amino]-2-pyridinyl}-2-méthylalaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-N-[5-[[4-[5-cyano-6-[(3S)-3-fluoro-1-pyrrolidinyl]-3-pyridinyl]-2-pyrimidinyl]amino]-2-pyridinyl]-2-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 121.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.55
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.46
Polar Surface Area: 146 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 328.4±5.0 cm3

Click to predict properties on the Chemicalize site


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