ChemSpider 2D Image | 4-(2-{[5-(1-Piperazinyl)-2-pyridinyl]amino}-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-9-yl)cyclohexanol | C24H28N8O

4-(2-{[5-(1-Piperazinyl)-2-pyridinyl]amino}-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-9-yl)cyclohexanol

  • Molecular FormulaC24H28N8O
  • Average mass444.532 Da
  • Monoisotopic mass444.238617 Da
  • ChemSpider ID58897646

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-(2-{[5-(1-Piperazinyl)-2-pyridinyl]amino}-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-9-yl)cyclohexanol [German] [ACD/IUPAC Name]
4-(2-{[5-(1-Piperazinyl)-2-pyridinyl]amino}-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-9-yl)cyclohexanol [ACD/IUPAC Name]
4-(2-{[5-(1-Pipérazinyl)-2-pyridinyl]amino}-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-9-yl)cyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 4-[2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-9-yl]- [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: 709.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.2±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: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.00
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

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