(R)-1-(4-Benzoyl-2-Methylpiperazin-1-Yl)-2-(4-Methoxy-1H-Pyrrolo[2,3-B]Pyridin-3-Yl)Ethane-1,2-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C22H22N4O4
IUPAC Name 1-[(2r)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-methoxy-2h-pyrrolo[2,3-b]pyridin-1-ium-2-ylium-3-yl)ethane-1,2-dione
Molecular Mass 406.434 g·mol−1
Heat of Formation -305.1 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 464.39 Å 3
Surface Area 383.13 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-methoxy-1h-pyrrolo[5,4-b]pyridin-3-yl)-2-[(2r)-2-methyl-4-(oxo-phenylmethyl)-1-piperazinyl]ethane-1,2-dione
  • 1-(4-methoxy-1h-pyrrolo[5,4-b]pyridin-3-yl)-2-[(2r)-2-methyl-4-phenylcarbonyl-piperazin-1-yl]ethane-1,2-dione
  • 1-[(2r)-4-(benzoyl)-2-methyl-piperazin-1-yl]-2-(4-methoxy-1h-pyrrolo[5,4-b]pyridin-3-yl)ethane-1,2-dione
  • 1-[(2r)-4-(benzoyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1h-pyrrolo[5,4-b]pyridin-3-yl)ethane-1,2-dione
  • bms 378806
  • bms-377806
  • bms-378806
  • bms-378806+pro 140
  • bms-806
  • piperazine, 4-benzoyl-1-(2-(4-methoxy-1h-pyrrolo(2,3-b)pyridin-3-yl)-1,2-dioxoethyl)-2-methyl-, (2r)-
  • piperazine, 4-benzoyl-1-[2-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)-1,2-dioxoethyl]-2-methyl-, (2r)-
  • piperazine, 4-benzoyl-1-[2-(4-methoxy-1h-pyrrolo[2,3-b]pyridin-3-yl)-1,2-dioxoethyl]-2-methyl-, (2r)- & pro 140 (anti-ccr5 monoclonal antibody)
CAS Number(s)
  • 357263-13-9
InChIKey OKGPFTLYBPQBIX-CQSZACIVSA-N
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