ChemSpider 2D Image | 1-{6-[4-(5-Chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl}-2-propen-1-one | C29H28ClN7O

1-{6-[4-(5-Chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl}-2-propen-1-one

  • Molecular FormulaC29H28ClN7O
  • Average mass526.032 Da
  • Monoisotopic mass525.204407 Da
  • ChemSpider ID115007151

More details:

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

1-{6-[4-(5-Chlor-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl}-2-propen-1-on [German] [ACD/IUPAC Name]
1-{6-[4-(5-Chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl}-2-propen-1-one [ACD/IUPAC Name]
1-{6-[4-(5-Chloro-6-méthyl-1H-indazol-4-yl)-5-méthyl-3-(1-méthyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl}-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(1-methyl-1H-indazol-5-yl)-1H-pyrazol-1-yl]-2-azaspiro[3.3]hept-2-yl]- [ACD/Index Name]
(S)-JDQ-443
2653994-08-0 [RN]
2653994-10-4 [RN]
opnurasib

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

Density: 1.5±0.1 g/cm3
Boiling Point: 737.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.7±32.9 °C
Index of Refraction: 1.760
Molar Refractivity: 147.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 916.97
ACD/KOC (pH 5.5): 4592.42
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 917.05
ACD/KOC (pH 7.4): 4592.82
Polar Surface Area: 85 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 358.8±7.0 cm3

Click to predict properties on the Chemicalize site


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