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Search term: SCLLZBIBSFTLIN-INOGPEIASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(4-[(1R,5S)-3,8-Diazabicyclo[3.2.1]oct-3-yl]-8-fluoro-2-{[(2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoro-2-naphthol | C33H31F3N6O2

4-(4-[(1R,5S)-3,8-Diazabicyclo[3.2.1]oct-3-yl]-8-fluoro-2-{[(2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoro-2-naphthol

  • Molecular FormulaC33H31F3N6O2
  • Average mass600.633 Da
  • Monoisotopic mass600.246033 Da
  • ChemSpider ID115009416

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Naphthalenol, 4-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]oct-3-yl]-8-fluoro-2-[[(2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]-5-ethynyl-6-fluoro- [ACD/Index Name]
4-(4-[(1R,5S)-3,8-Diazabicyclo[3.2.1]oct-3-yl]-8-fluor-2-{[(2R,7aS)-2-fluortetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethinyl-6-fluor-2-naphthol [German] [ACD/IUPAC Name]
4-(4-[(1R,5S)-3,8-Diazabicyclo[3.2.1]oct-3-yl]-8-fluoro-2-{[(2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoro-2-naphthol [ACD/IUPAC Name]
4-(4-[(1R,5S)-3,8-Diazabicyclo[3.2.1]oct-3-yl]-8-fluoro-2-{[(2R,7aS)-2-fluorotétrahydro-1H-pyrrolizin-7a(5H)-yl]méthoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-éthynyl-6-fluoro-2-naphtol [French] [ACD/IUPAC Name]
MRTX1133

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 158.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.01
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 22.05
ACD/KOC (pH 7.4): 177.75
Polar Surface Area: 87 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 80.1±5.0 dyne/cm
Molar Volume: 401.7±5.0 cm3

Click to predict properties on the Chemicalize site


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