Isopropyl 4-({7-[2-Fluoro-4-(Methylsulfonyl)Phenyl]-6,7-Dihydro-5H-Pyrrolo[2,3-D]Pyrimidin-4-Yl}Oxy)-1-Piperidinecarboxylate

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Properties Simple | Detailed

Formula C22H27FN4O5S
IUPAC Name isopropyl 4-[[7-(2-fluoro-4-methylsulfonyl-phenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
Molecular Mass 478.537 g·mol−1
Heat of Formation -880.5 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 537.16 Å 3
Surface Area 461.66 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[7-(2-fluoro-4-mesyl-phenyl)-5,6-dihydropyrrolo[3,2-e]pyrimidin-4-yl]oxy]piperidine-1-carboxylic acid isopropyl ester
  • 4-[[7-(2-fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[3,2-e]pyrimidin-4-yl]oxy]-1-piperidinecarboxylic acid isopropyl ester
  • isopropyl 4-[[7-(2-fluoro-4-methylsulfonyl-phenyl)-5,6-dihydropyrrolo[3,2-e]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
  • propan-2-yl 4-[[7-(2-fluoro-4-methylsulfonyl-phenyl)-5,6-dihydropyrrolo[3,2-e]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
  • propan-2-yl 4-[[7-(2-fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[3,2-e]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
InChIKey HCCOWIAORWVUEZ-UHFFFAOYSA-N
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