ChemSpider 2D Image | 9-[(1R)-1-Cyclohexylethyl]-N-[5-(1-piperazinyl)-2-pyridinyl]-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine | C26H32N8

9-[(1R)-1-Cyclohexylethyl]-N-[5-(1-piperazinyl)-2-pyridinyl]-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine

  • Molecular FormulaC26H32N8
  • Average mass456.586 Da
  • Monoisotopic mass456.274994 Da
  • ChemSpider ID58897425

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

9-[(1R)-1-Cyclohexylethyl]-N-[5-(1-piperazinyl)-2-pyridinyl]-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amin [German] [ACD/IUPAC Name]
9-[(1R)-1-Cyclohexylethyl]-N-[5-(1-piperazinyl)-2-pyridinyl]-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine [ACD/IUPAC Name]
9-[(1R)-1-Cyclohexyléthyl]-N-[5-(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-[(1R)-1-cyclohexylethyl]-N-[5-(1-piperazinyl)-2-pyridinyl]- [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: 677.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.5±34.3 °C
Index of Refraction: 1.745
Molar Refractivity: 133.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 27.80
ACD/KOC (pH 7.4): 179.65
Polar Surface Area: 84 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 328.6±7.0 cm3

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