ChemSpider 2D Image | N-(4-{4-Amino-1-[trans-4-(4-methyl-1-piperazinyl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide | C33H39N9O2

N-(4-{4-Amino-1-[trans-4-(4-methyl-1-piperazinyl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide

  • Molecular FormulaC33H39N9O2
  • Average mass593.722 Da
  • Monoisotopic mass593.322693 Da
  • ChemSpider ID19656265

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-2-carboxamide, N-[4-[4-amino-1-[trans-4-(4-methyl-1-piperazinyl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methyl- [ACD/Index Name]
N-(4-{4-Amino-1-[4-(4-Methylpiperazin-1-Yl)-Trans-Cyclohexyl]-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl}-2-Methoxyphenyl)-1-Methyl-1h-Indole-2-Carboxamide
N-(4-{4-Amino-1-[trans-4-(4-methyl-1-piperazinyl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
N-(4-{4-Amino-1-[trans-4-(4-methyl-1-piperazinyl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide [ACD/IUPAC Name]
N-(4-{4-Amino-1-[trans-4-(4-méthyl-1-pipérazinyl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-méthoxyphényl)-1-méthyl-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]
330789-03-2 [RN]
A-420983
CHEMBL314627
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL314627/
L1G

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

Density: 1.4±0.1 g/cm3
Boiling Point: 758.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.4±32.9 °C
Index of Refraction: 1.728
Molar Refractivity: 168.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 6.07
ACD/KOC (pH 7.4): 60.89
Polar Surface Area: 119 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 423.1±7.0 cm3

Click to predict properties on the Chemicalize site


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