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Search term: BLTVBQXJFVRPFK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Hydroxy-3-[5-(4-morpholinylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile | C19H18N4O2

2-Hydroxy-3-[5-(4-morpholinylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile

  • Molecular FormulaC19H18N4O2
  • Average mass334.372 Da
  • Monoisotopic mass334.142975 Da
  • ChemSpider ID24808514

More details:

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

1H-Indole-5-carbonitrile, 2-hydroxy-3-[5-(4-morpholinylmethyl)-2-pyridinyl]- [ACD/Index Name]
2-Hydroxy-3-[5-(4-morpholinylmethyl)-2-pyridinyl]-1H-indol-5-carbonitril [German] [ACD/IUPAC Name]
2-Hydroxy-3-[5-(4-morpholinylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile [ACD/IUPAC Name]
2-Hydroxy-3-[5-(4-morpholinylméthyl)-2-pyridinyl]-1H-indole-5-carbonitrile [French] [ACD/IUPAC Name]
2-HYDROXY-3-{5-[(MORPHOLIN-4-YL)METHYL]PYRIDIN-2-YL}-1H-INDOLE-5-CARBONITRILE
612487-72-6 [RN]
1H-Indole-5-carbonitrile,2-hydroxy-3-[5-(4-morpholinylmethyl)-2-pyridinyl]-
2-​​hydroxy-​​3-​​[5-​(4-​morpholinylmethyl)​-​2-​pyridinyl]-​1H-​indole-​​5-​carbonitrile
2-Hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile
2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AZD 1080 [DBID]
AZD1080 [DBID]
AZD-1080 [DBID]
Kinome_2945 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of hydroxyindoles that is 1H-indole substituted by hydroxy, 5-(morpholin-4-ylmethyl)pyridin-2-yl, and cyano groups at positions 2, 3 and 5, respectively. It is a potent, brain pe rmeable inhibitor of human GSK3alpha and GSK3beta with Ki of 6.9 nM and 31 nM, respectively. The drug was being developed by AstraZeneca for the treatment of Alzheimer's disease (clinical trial now di scontinued). ChEBI CHEBI:167651

    • Bio Activity:

      GSK-3 MedChem Express HY-13862
      PI3K/Akt/mTOR ; Wnt/Hedgehog/Notch; MedChem Express HY-13862

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

Density: 1.4±0.1 g/cm3
Boiling Point: 594.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 313.0±30.1 °C
Index of Refraction: 1.716
Molar Refractivity: 93.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 7.62
ACD/KOC (pH 5.5): 119.07
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 14.73
ACD/KOC (pH 7.4): 230.05
Polar Surface Area: 85 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 82.8±5.0 dyne/cm
Molar Volume: 238.0±5.0 cm3

Click to predict properties on the Chemicalize site


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