ChemSpider 2D Image | 2'-Tert-Butyl-1-(2h-Indazol-5-Ylcarbonyl)-2'h-Spiro[piperidine-4,5'-Pyrano[3,2-C]pyrazol]-7'(6'h)-One | C22H25N5O3

2'-Tert-Butyl-1-(2h-Indazol-5-Ylcarbonyl)-2'h-Spiro[piperidine-4,5'-Pyrano[3,2-C]pyrazol]-7'(6'h)-One

  • Molecular FormulaC22H25N5O3
  • Average mass407.466 Da
  • Monoisotopic mass407.195740 Da
  • ChemSpider ID29785233

More details:






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

1-(1H-Indazol-5-ylcarbonyl)-2'-(2-methyl-2-propanyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one [ACD/IUPAC Name]
2'-Tert-Butyl-1-(2h-Indazol-5-Ylcarbonyl)-2'h-Spiro[piperidine-4,5'-Pyrano[3,2-C]pyrazol]-7'(6'h)-One
Spiro[piperidine-4,5'(2'H)-pyrano[3,2-c]pyrazol]-7'(6'H)-one, 2'-(1,1-dimethylethyl)-1-(1H-indazol-5-ylcarbonyl)- [ACD/Index Name]
10.1021/jm401033t
1197815-64-7 [RN]
2'-(tert-Butyl)-1-(1H-indazole-5-carbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one
2’-(1,1-Dimethylethyl)-2’,6’-dihydro-1-(1H-indazol-5-ylcarbonyl)spiro[piperidine-4,5’(7’H)-pyrano[3,
2'-tert-butyl-1-(1H-indazole-5-carbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one
2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
3W2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 669.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.5±31.5 °C
Index of Refraction: 1.702
Molar Refractivity: 111.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.72
ACD/KOC (pH 5.5): 688.61
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.73
ACD/KOC (pH 7.4): 688.63
Polar Surface Area: 93 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 288.8±7.0 cm3

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