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Search term: ZXUGLISADYYLBK-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | compound 21 [PMID: 23981033] | C25H29N5O3

compound 21 [PMID: 23981033]

  • Molecular FormulaC25H29N5O3
  • Average mass447.530 Da
  • Monoisotopic mass447.227051 Da
  • ChemSpider ID30821515

More details:

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

1-[(2-Methoxy-7-quinolinyl)carbonyl]-2'-(2-methyl-2-propanyl)-2',4'-dihydrospiro[piperidine-4,5'-pyrazolo[3,4-c]pyridin]-7'(6'H)-one [ACD/IUPAC Name]
compound 21 [PMID: 23981033]
Spiro[piperidine-4,5'-[5H]pyrazolo[3,4-c]pyridin]-7'(6'H)-one, 2'-(1,1-dimethylethyl)-2',4'-dihydro-1-[(2-methoxy-7-quinolinyl)carbonyl]- [ACD/Index Name]
2-tert-butyl-1'-(2-methoxyquinoline-7-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 718.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.3±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 125.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.78
ACD/KOC (pH 5.5): 450.47
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.79
ACD/KOC (pH 7.4): 450.64
Polar Surface Area: 89 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 336.1±7.0 cm3

Click to predict properties on the Chemicalize site


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