ChemSpider 2D Image | 1-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-4-[1-methyl-3-(1-pyrrolidinylcarbonyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-1,4-butanedione | C23H33N5O5

1-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-4-[1-methyl-3-(1-pyrrolidinylcarbonyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-1,4-butanedione

  • Molecular FormulaC23H33N5O5
  • Average mass459.539 Da
  • Monoisotopic mass459.248169 Da
  • ChemSpider ID29188270

More details:

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

1-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-4-[1-methyl-3-(1-pyrrolidinylcarbonyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-1,4-butandion [German] [ACD/IUPAC Name]
1-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-4-[1-methyl-3-(1-pyrrolidinylcarbonyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-1,4-butanedione [ACD/IUPAC Name]
1-(1,4-Dioxa-8-azaspiro[4.5]déc-8-yl)-4-[1-méthyl-3-(1-pyrrolidinylcarbonyl)-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-1,4-butanedione [French] [ACD/IUPAC Name]
1,4-Butanedione, 1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-[1,4,6,7-tetrahydro-1-methyl-3-(1-pyrrolidinylcarbonyl)-5H-pyrazolo[4,3-c]pyridin-5-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 767.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.1±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 120.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.99
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.99
Polar Surface Area: 97 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 317.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement