ChemSpider 2D Image | balipodect | C23H17FN6O2

balipodect

  • Molecular FormulaC23H17FN6O2
  • Average mass428.418 Da
  • Monoisotopic mass428.139709 Da
  • ChemSpider ID35035198

More details:

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

1-[2-Fluor-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-4(1H)-pyridazinon [German] [ACD/IUPAC Name]
1-[2-Fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-4(1H)-pyridazinone [ACD/IUPAC Name]
1-[2-Fluoro-4-(1H-pyrazol-1-yl)phényl]-5-méthoxy-3-(1-phényl-1H-pyrazol-5-yl)-4(1H)-pyridazinone [French] [ACD/IUPAC Name]
1-[2-Fluoro-4-(1h-Pyrazol-1-Yl)phenyl]-5-Methoxy-3-(1-Phenyl-1h-Pyrazol-5-Yl)pyridazin-4(1h)-One
1238697-26-1 [RN]
4(1H)-Pyridazinone, 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)- [ACD/Index Name]
balipodect [INN] [USAN]
balipodect [French] [INN]
balipodect [Spanish] [INN]
balipodectum [Latin] [INN]
More...

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

10456 [DBID]
6650W303H0 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      5 Axon Medchem 2399
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2399
      no pictogram Axon Medchem 2399
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2399
      Warning Axon Medchem 2399

    • Target Organs:

      PDE inhibitor TargetMol T1745

    • Bio Activity:

      Metabolic Enzyme/Protease; MedChem Express HY-12472
      Metabolism TargetMol T1745
      Others MedChem Express HY-12472
      PDE MedChem Express HY-12472
      PDE10A TargetMol T1745
      TAK-063 is a highly potent, selective and orally active PDE10A inhibitor with IC50 of 0.30 nM; MedChem Express http://www.medchemexpress.com/BMH-21.html
      TAK-063 is a highly potent, selective and orally active PDE10A inhibitor with IC50 of 0.30 nM; >15000-fold selectivity over other PDEs.; IC50 value: 0.3 nM [1]; Target: PDE10A inhibitor; TAK-063 has potent inhibitory activity (IC50 = 0.30 nM), excellent selectivity (>15000-fold selectivity over other PDEs), and favorable pharmacokinetics, including high brain penetration, in mice. MedChem Express HY-12472
      TAK-063 is a highly potent, selective and orally active PDE10A inhibitor with IC50 of 0.30 nM; >15000-fold selectivity over other PDEs.;IC50 value: 0.3 nM [1];Target: PDE10A inhibitor;TAK-063 has potent inhibitory activity (IC50 = 0.30 nM), excellent selectivity (>15000-fold selectivity over other PDEs), and favorable pharmacokinetics, including high brain penetration, in mice. Oral administration of TAK-063 to mice elevated striatal 3',5'-cyclic adenosine monophosphate (cAMP) and 3',5'-cyclic guanosine monophosphate (cGMP) levels at 0.3 mg/kg and showed potent suppression of phencyclidine (PCP)-induced hyperlocomotion at a minimum effective dose (MED) of 0.3 mg/kg [1]. TAK-063 at 0.3 and 1 mg/kg, p.o., increased cAMP and cGMP levels in the rodent striatum and upregulated phosphorylation levels of key substrates of cAMP-dependent and cGMP-dependent protein kinases. TAK-063 at 0.3 and 1 mg/kg, p.o., strongly suppressed MK-801-induced hyperlocomotion that is often used as a predictiv MedChem Express HY-12472

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

Density: 1.4±0.1 g/cm3
Boiling Point: 612.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.1±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 118.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.39
ACD/KOC (pH 5.5): 936.10
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.39
ACD/KOC (pH 7.4): 936.10
Polar Surface Area: 78 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 312.3±7.0 cm3

Click to predict properties on the Chemicalize site


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