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Search term: PXOQNEQRSUORAM-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(2-{[4-({4-[(3-Fluorobenzyl)oxy]-3-methoxyphenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)-4-piperidinol | C26H29FN6O4

1-(2-{[4-({4-[(3-Fluorobenzyl)oxy]-3-methoxyphenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)-4-piperidinol

  • Molecular FormulaC26H29FN6O4
  • Average mass508.545 Da
  • Monoisotopic mass508.223419 Da
  • ChemSpider ID23322925

More details:

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

1-(2-{[4-({4-[(3-Fluorbenzyl)oxy]-3-methoxyphenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)-4-piperidinol [German] [ACD/IUPAC Name]
1-(2-{[4-({4-[(3-Fluorobenzyl)oxy]-3-methoxyphenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)-4-piperidinol [ACD/IUPAC Name]
1-(2-{[4-({4-[(3-Fluorobenzyl)oxy]-3-méthoxyphényl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}éthyl)-4-pipéridinol [French] [ACD/IUPAC Name]
1-(2-{[4-({4-[(3-fluorobenzyl)oxy]-3-methoxyphenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)piperidin-4-ol
4-Piperidinol, 1-[2-[[4-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]amino]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy]ethyl]- [ACD/Index Name]
1-(2-(4-(4-(3-fluorobenzyloxy)-3-methoxyphenylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yloxy)ethyl)piperidin-4-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL402339/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 745.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 404.5±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 137.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.45
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 23.40
ACD/KOC (pH 7.4): 263.59
Polar Surface Area: 118 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 68.3±3.0 dyne/cm
Molar Volume: 371.5±3.0 cm3

Click to predict properties on the Chemicalize site


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