There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.

ChemSpider 2D Image | Umbralisib | C31H24F3N5O3


  • Molecular FormulaC31H24F3N5O3
  • Average mass571.549 Da
  • Monoisotopic mass571.183105 Da
  • ChemSpider ID34979945
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1532533-67-7 [RN]
2-{(1S)-1-[4-Amino-3-(3-fluor-4-isopropoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-6-fluor-3-(3-fluorphenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-{(1S)-1-[4-Amino-3-(3-fluoro-4-isopropoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-6-fluoro-3-(3-fluorophenyl)-4H-chromen-4-one [ACD/IUPAC Name]
2-{(1S)-1-[4-Amino-3-(3-fluoro-4-isopropoxyphényl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]éthyl}-6-fluoro-3-(3-fluorophényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[(1S)-1-[4-amino-3-[3-fluoro-4-(1-methylethoxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-fluoro-3-(3-fluorophenyl)- [ACD/Index Name]
umbralisib [Italian] [INN]
umbralisib [Spanish] [INN]
Umbralisib [INN] [USAN]

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

38073MQB2A [DBID]
RP-5264 [DBID]
TGR-1202 base [DBID]
TGR-1202 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      PI3K MedChem Express HY-12279
      PI3K/Akt/mTOR MedChem Express HY-12279
      PI3K/Akt/mTOR; MedChem Express HY-12279
      TGR-1202 is an orally available, next generation PI3Kdelta inhibitor, inhibits PI3K? activity in enzyme and cell based assays with IC50 and EC50 values of 22.2 and 24.3 nM respectively.; IC50 value: 22.2 nM; Target: PI3Kdelta; in vitro: TGR-1202 displays a high degree of selectivity over the alpha (>1000 fold), beta (>30-50 fold), and gamma (>15-50 fold) isoforms. MedChem Express HY-12279

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 737.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.8±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 147.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4043.80
ACD/KOC (pH 5.5): 13156.74
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4181.45
ACD/KOC (pH 7.4): 13604.61
Polar Surface Area: 105 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 397.6±7.0 cm3

Click to predict properties on the Chemicalize site