ChemSpider 2D Image | Methyl (3-{3-[(1R)-1-{cyclopropyl[(2R)-2-morpholinylcarbonyl]amino}ethyl]-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl}propyl)carbamate | C22H32N6O4

Methyl (3-{3-[(1R)-1-{cyclopropyl[(2R)-2-morpholinylcarbonyl]amino}ethyl]-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl}propyl)carbamate

  • Molecular FormulaC22H32N6O4
  • Average mass444.527 Da
  • Monoisotopic mass444.248505 Da
  • ChemSpider ID76799450

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3-{3-[(1R)-1-{Cyclopropyl[(2R)-2-morpholinylcarbonyl]amino}éthyl]-6-méthyl-1H-pyrazolo[3,4-b]pyridin-1-yl}propyl)carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[3-[3-[(1R)-1-[cyclopropyl[(2R)-2-morpholinylcarbonyl]amino]ethyl]-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]propyl]-, methyl ester [ACD/Index Name]
Methyl (3-{3-[(1R)-1-{cyclopropyl[(2R)-2-morpholinylcarbonyl]amino}ethyl]-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl}propyl)carbamate [ACD/IUPAC Name]
Methyl-(3-{3-[(1R)-1-{cyclopropyl[(2R)-2-morpholinylcarbonyl]amino}ethyl]-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl}propyl)carbamat [German] [ACD/IUPAC Name]
1399849-02-5 [RN]
REN
SPH3127

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

Density: 1.4±0.1 g/cm3
Boiling Point: 667.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.4±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.37
Polar Surface Area: 111 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 317.7±7.0 cm3

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