ChemSpider 2D Image | (S)-4-((4-(((2,3-Dihydro-[1,4]dioxino[2,3-C]pyridin-7-Yl)methyl)amino)piperidin-1-Yl)methyl)-3-Fluoro-4-Hydroxy-4h-Pyrrolo[3,2,1-De][1,5]naphthyridin-7(5h)-One | C24H26FN5O4

(S)-4-((4-(((2,3-Dihydro-[1,4]dioxino[2,3-C]pyridin-7-Yl)methyl)amino)piperidin-1-Yl)methyl)-3-Fluoro-4-Hydroxy-4h-Pyrrolo[3,2,1-De][1,5]naphthyridin-7(5h)-One

  • Molecular FormulaC24H26FN5O4
  • Average mass467.493 Da
  • Monoisotopic mass467.196869 Da
  • ChemSpider ID29380404
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluor-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphthyridin-7-on [German] [ACD/IUPAC Name]
(4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]-1-piperidinyl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one [ACD/IUPAC Name]
(4S)-4-({4-[(2,3-Dihydro[1,4]dioxino[2,3-c]pyridin-7-ylméthyl)amino]-1-pipéridinyl}méthyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphtyridin-7-one [French] [ACD/IUPAC Name]
(S)-4-((4-(((2,3-Dihydro-[1,4]dioxino[2,3-C]pyridin-7-Yl)methyl)amino)piperidin-1-Yl)methyl)-3-Fluoro-4-Hydroxy-4h-Pyrrolo[3,2,1-De][1,5]naphthyridin-7(5h)-One
7H-Pyrrolo[3,2,1-de][1,5]naphthyridin-7-one, 4-[[4-[[(2,3-dihydro-1,4-dioxino[2,3-c]pyridin-7-yl)methyl]amino]-1-piperidinyl]methyl]-3-fluoro-4,5-dihydro-4-hydroxy-, (4S)- [ACD/Index Name]
AE8
GSK966587

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

Density: 1.5±0.1 g/cm3
Boiling Point: 648.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.0±31.5 °C
Index of Refraction: 1.697
Molar Refractivity: 120.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.99
Polar Surface Area: 100 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 81.2±5.0 dyne/cm
Molar Volume: 312.2±5.0 cm3

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