ChemSpider 2D Image | CCT251545 | C23H24ClN5O

CCT251545

  • Molecular FormulaC23H24ClN5O
  • Average mass421.923 Da
  • Monoisotopic mass421.166931 Da
  • ChemSpider ID44208833

More details:

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

1661839-45-7 [RN]
2,8-Diazaspiro[4.5]decan-1-one, 8-[3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-4-pyridinyl]- [ACD/Index Name]
8-{3-Chlor-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-4-pyridinyl}-2,8-diazaspiro[4.5]decan-1-on [German] [ACD/IUPAC Name]
8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-4-pyridinyl}-2,8-diazaspiro[4.5]decan-1-one [ACD/IUPAC Name]
8-{3-Chloro-5-[4-(1-méthyl-1H-pyrazol-4-yl)phényl]-4-pyridinyl}-2,8-diazaspiro[4.5]décan-1-one [French] [ACD/IUPAC Name]
8-{3-Chloro-5-[4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl]pyridin-4-Yl}-2,8-Diazaspiro[4.5]decan-1-One
8-{3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one
CCT251545
4TV
8-(3-chloro-5-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
More...
  • Miscellaneous

    • Chemical Class:

      A chloropyridine that is 3-chloropyridine substituted by a 1-oxo-2,8-diazaspiro[4.5]decan-8-yl group and a 4-(1-methyl-1H-pyrazol-4-yl)phenyl group at positions 4 and 5, respectively. It is an orally bioavailable inhibitor of Wnt signaling (IC50 = 5 nM) and a potent and selective chemical probe for cyclin-dependent kinases CDK8 and CDK19. ChEBI CHEBI:143114

    • Bio Activity:

      CDK8,?CDK19 ChemicalProbes.org CPP768

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

Density: 1.4±0.1 g/cm3
Boiling Point: 709.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.0±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 118.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.50
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 21.99
ACD/KOC (pH 7.4): 188.44
Polar Surface Area: 63 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 306.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement