1-[6-(5-Chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl] 4-(1,1-dimethylethyl) 1,4-piperazinedicarboxylate

CAS Registry Number®

1076199-62-6
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CAS Name

1-[6-(5-Chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl] 4-(1,1-dimethylethyl) 1,4-piperazinedicarboxylate

Molecular Formula

C21H23ClN6O5

Molecular Mass

474.90

Cite this Page

1-[6-(5-Chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl] 4-(1,1-dimethylethyl) 1,4-piperazinedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1076199-62-6 (retrieved 2024-07-02) (CAS RN: 1076199-62-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H23ClN6O5/c1-21(2,3)33-20(31)27-10-8-26(9-11-27)19(30)32-18-16-15(23-6-7-24-16)17(29)28(18)14-5-4-13(22)12-25-14/h4-7,12,18H,8-11H2,1-3H3

InChIKey

InChIKey=WCXISODDJDGVCJ-UHFFFAOYSA-N

SMILES

O(C(=O)N1CCN(C(OC(C)(C)C)=O)CC1)C2N(C(=O)C=3C2=NC=CN3)C4=CC=C(Cl)C=N4

Canonical SMILES

O=C(OC1C2=NC=CN=C2C(=O)N1C3=NC=C(Cl)C=C3)N4CCN(C(=O)OC(C)(C)C)CC4

Other Names for this Substance

  • 1,4-Piperazinedicarboxylic acid, 1-[6-(5-chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl] 4-(1,1-dimethylethyl) ester
  • 1-[6-(5-Chloro-2-pyridinyl)-6,7-dihydro-7-oxo-5H-pyrrolo[3,4-b]pyrazin-5-yl] 4-(1,1-dimethylethyl) 1,4-piperazinedicarboxylate