ChemSpider 2D Image | LY-3023414 | C23H26N4O3


  • Molecular FormulaC23H26N4O3
  • Average mass406.478 Da
  • Monoisotopic mass406.200500 Da
  • ChemSpider ID35142771
  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1386874-06-1 [RN]
2H-Imidazo[4,5-c]quinolin-2-one, 1,3-dihydro-8-[5-(1-hydroxy-1-methylethyl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methyl- [ACD/Index Name]
8-[5-(2-Hydroxy-2-propanyl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]chinolin-2-on [German] [ACD/IUPAC Name]
8-[5-(2-Hydroxy-2-propanyl)-3-pyridinyl]-1-[(2S)-2-méthoxypropyl]-3-méthyl-1,3-dihydro-2H-imidazo[4,5-c]quinoléin-2-one [French] [ACD/IUPAC Name]
8-[5-(2-Hydroxy-2-propanyl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one [ACD/IUPAC Name]
2H-?Imidazo[4,?5-?c]?quinolin-?2-?one, 1,?3-?dihydro-?8-?[5-?(1-?hydroxy-?1-?methylethyl)?-?3-?pyridinyl]?-?1-?[(2S)?-?2-?methoxypropyl]?-?3-?methyl-

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

C88817F47Y [DBID]
UNII:C88817F47Y [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Akt DNA-PK PI3K MedChem Express HY-12513
      Cell Cycle/DNA Damage MedChem Express HY-12513
      Cell Cycle/DNA Damage; PI3K/Akt/mTOR; MedChem Express HY-12513
      DNA-PK MedChem Express HY-12513
      LY3023414 is an oral ATP competitive inhibitor of the class I PI3K isoforms, mTOR and DNA-PK, extracted from patent WO/2012097039A1, compound example 1, has an IC50 of 64.9 nM, 42.1 nM, 10.6 nM, 19.1 nM for Akt1(pT308), Akt1 (pS473), P70S6(pT389), S6RP(pS240/242). MedChem Express HY-12513

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

Density: 1.2±0.1 g/cm3
Boiling Point: 591.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 311.6±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 115.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 31.32
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.51
ACD/KOC (pH 7.4): 302.51
Polar Surface Area: 79 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 328.0±3.0 cm3

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