ChemSpider 2D Image | leniolisib | C21H25F3N6O2

leniolisib

  • Molecular FormulaC21H25F3N6O2
  • Average mass450.457 Da
  • Monoisotopic mass450.199097 Da
  • ChemSpider ID52083264
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-[(3S)-3-({6-[6-Methoxy-5-(trifluormethyl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}amino)-1-pyrrolidinyl]-1-propanon [German] [ACD/IUPAC Name]
1-[(3S)-3-({6-[6-Methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}amino)-1-pyrrolidinyl]-1-propanone [ACD/IUPAC Name]
1-[(3S)-3-({6-[6-Méthoxy-5-(trifluorométhyl)-3-pyridinyl]-5,6,7,8-tétrahydropyrido[4,3-d]pyrimidin-4-yl}amino)-1-pyrrolidinyl]-1-propanone [French] [ACD/IUPAC Name]
10255
1354690-24-6 [RN]
1-Propanone, 1-[(3S)-3-[[5,6,7,8-tetrahydro-6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-yl]amino]-1-pyrrolidinyl]- [ACD/Index Name]
L22772Z9CP
leniolisib [INN]
leniolisib [Spanish] [INN]
léniolisib [French] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 669.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.6±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 83.94
ACD/KOC (pH 5.5): 700.85
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.33
ACD/KOC (pH 7.4): 1255.11
Polar Surface Area: 83 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 331.7±3.0 cm3

Click to predict properties on the Chemicalize site






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