ChemSpider 2D Image | 1-[4-(5'-Chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)-1-piperazinyl]-3-(methylsulfonyl)-1-propanone | C20H25ClN4O3S

1-[4-(5'-Chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)-1-piperazinyl]-3-(methylsulfonyl)-1-propanone

  • Molecular FormulaC20H25ClN4O3S
  • Average mass436.956 Da
  • Monoisotopic mass436.133575 Da
  • ChemSpider ID28424118

More details:

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

1-(4-{5'-chloro-3,5-dimethyl-[2,4'-bipyridin]-2'-yl}piperazin-1-yl)-3-methanesulfonylpropan-1-one
1-[4-(5'-Chlor-3,5-dimethyl-2,4'-bipyridin-2'-yl)-1-piperazinyl]-3-(methylsulfonyl)-1-propanon [German] [ACD/IUPAC Name]
1-[4-(5'-Chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)-1-piperazinyl]-3-(methylsulfonyl)-1-propanone [ACD/IUPAC Name]
1-[4-(5'-Chloro-3,5-diméthyl-2,4'-bipyridin-2'-yl)-1-pipérazinyl]-3-(méthylsulfonyl)-1-propanone [French] [ACD/IUPAC Name]
1373615-35-0 [RN]
1-Propanone, 1-[4-(5'-chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl)-1-piperazinyl]-3-(methylsulfonyl)- [ACD/Index Name]
[1373615-35-0] [RN]
1-(4-(5-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-3-yl)piperidin-1-yl)-2-hydroxyethanone
1-(4-(5'-chloro-3,5-dimethyl-[2,4'-bipyridin]-2'-yl)piperazin-1-yl)-3-(methylsulfonyl)propan-1-one
1-(4-(5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl)piperazin-1-yl)-3-(methylsulfonyl)propan-1-one
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      PF-5274857 is a potent and selective Smoothened (Smo) antagonist, inhibits Hedgehog (Hh) signaling with IC50 and Ki of 5.8 nM and 4.6 nM, respectively, and can penetrate the blood?brain barrier.; IC50 value: 5.8 nM; Target: Smoothened; in vitro: PF-5274857 completely inhibits Shh-induced Hh pathway activity with IC50 of 2.7 nM measured by the transcriptional activity of Smo downstream gene Gli1 in MEF cells. MedChem Express HY-13459
      PF-5274857 is a potent and selective Smoothened (Smo) antagonist, inhibits Hedgehog (Hh) signaling with IC50 and Ki of 5.8 nM and 4.6 nM, respectively, and can penetrate the blood–brain barrier. MedChem Express
      Smo MedChem Express HY-13459
      Wnt/Hedgehog/Notch MedChem Express HY-13459
      Wnt/Hedgehog/Notch; MedChem Express HY-13459

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

Density: 1.3±0.1 g/cm3
Boiling Point: 686.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.7±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 15.66
ACD/KOC (pH 5.5): 239.82
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.93
ACD/KOC (pH 7.4): 274.63
Polar Surface Area: 92 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 334.3±3.0 cm3

Click to predict properties on the Chemicalize site


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