ChemSpider 2D Image | CYP3cide | C26H32N8

CYP3cide

  • Molecular FormulaC26H32N8
  • Average mass456.586 Da
  • Monoisotopic mass456.274994 Da
  • ChemSpider ID28467511

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1390637-82-7 [RN]
1H-Pyrazolo[3,4-d]pyrimidine, 1-methyl-3-[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-[(3S)-3-(1-piperidinyl)-1-pyrrolidinyl]- [ACD/Index Name]
1-Methyl-3-[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-[(3S)-3-(1-piperidinyl)-1-pyrrolidinyl]-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
1-Methyl-3-[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-[(3S)-3-(1-piperidinyl)-1-pyrrolidinyl]-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
1-Méthyl-3-[1-méthyl-5-(4-méthylphényl)-1H-pyrazol-4-yl]-4-[(3S)-3-(1-pipéridinyl)-1-pyrrolidinyl]-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
1-Methyl-3-[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
CYP3cide
MFCD22417344
PF-04981517
(S)-1-methyl-3-(1-methyl-5-p-tolyl-1H-pyrazol-4-yl)-4-(3-(piperidin-1-yl)pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 4252

    • Bio Activity:

      Cytochrome P450 Tocris Bioscience 4252
      Enzymes Tocris Bioscience 4252
      Potent and selective inhibitor of CYP3A4 (IC50 values are 0.03, 17 and 70 ?M for CYP3A4, CYP3A5 and CYP3A7 respectively). Tocris Bioscience 4252
      Potent and selective inhibitor of CYP3A4 (IC50 values are 0.03, 17 and 70 muM for CYP3A4, CYP3A5 and CYP3A7 respectively). Tocris Bioscience 4252
      Selective CYP3A4 inhibitor Tocris Bioscience 4252

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.9±31.5 °C
Index of Refraction: 1.725
Molar Refractivity: 134.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 6.61
ACD/KOC (pH 7.4): 57.25
Polar Surface Area: 68 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 339.0±7.0 cm3

Click to predict properties on the Chemicalize site


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