ChemSpider 2D Image | [1-(4-{[4-(4-Hydroxy-1-piperidinyl)phenyl]amino}-5-oxo-5,6-dihydropyrimido[4,5-d]pyridazin-2-yl)-4-piperidinyl]acetonitrile | C24H28N8O2

[1-(4-{[4-(4-Hydroxy-1-piperidinyl)phenyl]amino}-5-oxo-5,6-dihydropyrimido[4,5-d]pyridazin-2-yl)-4-piperidinyl]acetonitrile

  • Molecular FormulaC24H28N8O2
  • Average mass460.531 Da
  • Monoisotopic mass460.233521 Da
  • ChemSpider ID71117451

More details:

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

[1-(4-{[4-(4-Hydroxy-1-piperidinyl)phenyl]amino}-5-oxo-5,6-dihydropyrimido[4,5-d]pyridazin-2-yl)-4-piperidinyl]acetonitril [German] [ACD/IUPAC Name]
[1-(4-{[4-(4-Hydroxy-1-piperidinyl)phenyl]amino}-5-oxo-5,6-dihydropyrimido[4,5-d]pyridazin-2-yl)-4-piperidinyl]acetonitrile [ACD/IUPAC Name]
[1-(4-{[4-(4-Hydroxy-1-pipéridinyl)phényl]amino}-5-oxo-5,6-dihydropyrimido[4,5-d]pyridazin-2-yl)-4-pipéridinyl]acétonitrile [French] [ACD/IUPAC Name]
4-Piperidineacetonitrile, 1-[5,6-dihydro-4-[[4-(4-hydroxy-1-piperidinyl)phenyl]amino]-5-oxopyrimido[4,5-d]pyridazin-2-yl]- [ACD/Index Name]
1425381-60-7 [RN]
2-[1-[4-[4-(4-hydroxypiperidin-1-yl)anilino]-5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl]piperidin-4-yl]acetonitrile
D11676
Gusacitinib
Gusacitinib (USAN/INN)

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.749
Molar Refractivity: 127.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.08
ACD/KOC (pH 5.5): 202.93
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.73
ACD/KOC (pH 7.4): 213.76
Polar Surface Area: 130 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 312.4±7.0 cm3

Click to predict properties on the Chemicalize site


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