ChemSpider 2D Image | [(2R)-4-{6-[(9-Cyclopentyl-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-2-piperazinyl]methanol | C24H28N8O

[(2R)-4-{6-[(9-Cyclopentyl-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-2-piperazinyl]methanol

  • Molecular FormulaC24H28N8O
  • Average mass444.532 Da
  • Monoisotopic mass444.238617 Da
  • ChemSpider ID58888268

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2R)-4-{6-[(9-Cyclopentyl-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-2-piperazinyl]methanol [German] [ACD/IUPAC Name]
[(2R)-4-{6-[(9-Cyclopentyl-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-2-piperazinyl]methanol [ACD/IUPAC Name]
[(2R)-4-{6-[(9-Cyclopentyl-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-2-pipérazinyl]méthanol [French] [ACD/IUPAC Name]
2-Piperazinemethanol, 4-[6-[(9-cyclopentyl-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-, (2R)- [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: 706.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 381.0±35.7 °C
Index of Refraction: 1.792
Molar Refractivity: 124.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 2.54
ACD/KOC (pH 7.4): 47.62
Polar Surface Area: 104 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 67.6±7.0 dyne/cm
Molar Volume: 294.6±7.0 cm3

Click to predict properties on the Chemicalize site


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