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Search term: PHQDLOFSIWRQJZ-OAQYLSRUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5R)-N-(1-{2-[4-(2-Methoxyethyl)-1-piperazinyl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine | C29H37N9O

(5R)-N-(1-{2-[4-(2-Methoxyethyl)-1-piperazinyl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine

  • Molecular FormulaC29H37N9O
  • Average mass527.664 Da
  • Monoisotopic mass527.312134 Da
  • ChemSpider ID59052839

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-N-(1-{2-[4-(2-Methoxyethyl)-1-piperazinyl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]chinazolin-2-amin [German] [ACD/IUPAC Name]
(5R)-N-(1-{2-[4-(2-Methoxyethyl)-1-piperazinyl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine [ACD/IUPAC Name]
(5R)-N-(1-{2-[4-(2-Méthoxyéthyl)-1-pipérazinyl]éthyl}-1H-pyrazol-3-yl)-5,8-diméthyl-9-phényl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine [French] [ACD/IUPAC Name]
(5r)-N-(1-{2-[4-(2-Methoxyethyl)piperazin-1-Yl]ethyl}-1h-Pyrazol-3-Yl)-5,8-Dimethyl-9-Phenyl-6,8-Dihydro-5h-Pyrazolo[3,4-H]quinazolin-2-Amine
5H-Pyrazolo[3,4-h]quinazolin-2-amine, 6,8-dihydro-N-[1-[2-[4-(2-methoxyethyl)-1-piperazinyl]ethyl]-1H-pyrazol-3-yl]-5,8-dimethyl-9-phenyl-, (5R)- [ACD/Index Name]
5JA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 751.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.1±35.7 °C
Index of Refraction: 1.694
Molar Refractivity: 152.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 3.61
ACD/KOC (pH 5.5): 30.51
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 96.48
ACD/KOC (pH 7.4): 815.25
Polar Surface Area: 89 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 398.2±7.0 cm3

Click to predict properties on the Chemicalize site


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