[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine

C33H34Cl2N12O6 — CID 157146406

IUPAC[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine
SMILESC1CNCCN1.CC(=O)O[C@H]1c2nccnc2C(=O)N1c1ccc(Cl)cn1.O=C(O[C@H]1c2nccnc2C(=O)N1c1ccc(Cl)cn1)N1CCNCC1
InChIInChI=1S/C16H15ClN6O3.C13H9ClN4O3.C4H10N2/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22;1-7(19)21-13-11-10(15-4-5-16-11)12(20)18(13)9-3-2-8(14)6-17-9;1-2-6-4-3-5-1/h1-4,9,15,18H,5-8H2;2-6,13H,1H3;5-6H,1-4H2/t15-;13-;/m00./s1
InChIKeyAKTFMPBPMKODKP-XCRQIHEVSA-N
MW765.62 g/mol
LogP2.15
Rot. Bonds4

About [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine

[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine (PubChem CID 157146406) has the molecular formula C33H34Cl2N12O6 and a molecular weight of 765.62 g/mol. Its IUPAC name is [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine.

Molecular Properties

Compound Name[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine
PubChem CID157146406
Molecular FormulaC33H34Cl2N12O6
Molecular Weight765.62 g/mol
Exact Mass764.21
IUPAC Name[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine
SMILESC1CNCCN1.CC(=O)O[C@H]1c2nccnc2C(=O)N1c1ccc(Cl)cn1.O=C(O[C@H]1c2nccnc2C(=O)N1c1ccc(Cl)cn1)N1CCNCC1
InChIInChI=1S/C16H15ClN6O3.C13H9ClN4O3.C4H10N2/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22;1-7(19)21-13-11-10(15-4-5-16-11)12(20)18(13)9-3-2-8(14)6-17-9;1-2-6-4-3-5-1/h1-4,9,15,18H,5-8H2;2-6,13H,1H3;5-6H,1-4H2/t15-;13-;/m00./s1
InChIKeyAKTFMPBPMKODKP-XCRQIHEVSA-N
XLogP2.15
TPSA209.89 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.62
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine with MolForge

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Related Compounds

Eszopiclone
CID 969472
Zopiclone
CID 5735
(5R)-Zopiclone
CID 941731
Zopiclone N-oxide
CID 162548
N-Desmethylzopiclone
CID 162892
(6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo(3,4-b)pyrazin-7-yl) 2,2,6,6-tetradeuterio-4-methylpiperazine-1-carboxylate
CID 117065105
ZOPICLONE_met012
CID 171115197
Sep-174559
CID 9864389
Zopiclone-N-oxide
CID 6428031
Zopiclone-M/artifact (alcohol) AC
CID 11483541
(6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo(3,4-b)pyrazin-7-yl) 2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazine-1-carboxylate
CID 45040708
Zopiclone hydrochloride
CID 24739938

Frequently Asked Questions

What is the IUPAC name of [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine?
The IUPAC name of [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine (CID 157146406) is [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine.
What is the SMILES notation for [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine?
The canonical SMILES for [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine is C1CNCCN1.CC(=O)O[C@H]1c2nccnc2C(=O)N1c1ccc(Cl)cn1.O=C(O[C@H]1c2nccnc2C(=O)N1c1ccc(Cl)cn1)N1CCNCC1.
What is the InChIKey of [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine?
The InChIKey is AKTFMPBPMKODKP-XCRQIHEVSA-N. The full InChI is InChI=1S/C16H15ClN6O3.C13H9ClN4O3.C4H10N2/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22;1-7(19)21-13-11-10(15-4-5-16-11)12(20)18(13)9-3-2-8(14)6-17-9;1-2-6-4-3-5-1/h1-4,9,15,18H,5-8H2;2-6,13H,1H3;5-6H,1-4H2/t15-;13-;/m00./s1.
What are the key properties of [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine?
[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine has a molecular weight of 765.62 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate;piperazine is sourced from PubChem (CID 157146406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).