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

C35H34Cl2N12O8 — CID 90910914

IUPAC[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one
SMILESCC(=O)OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1.CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1=O.CN1CCNCC1=O
InChIInChI=1S/C17H15ClN6O4.C13H9ClN4O3.C5H10N2O/c1-22-6-7-23(9-12(22)25)17(27)28-16-14-13(19-4-5-20-14)15(26)24(16)11-3-2-10(18)8-21-11;1-7(19)21-13-11-10(15-4-5-16-11)12(20)18(13)9-3-2-8(14)6-17-9;1-7-3-2-6-4-5(7)8/h2-5,8,16H,6-7,9H2,1H3;2-6,13H,1H3;6H,2-4H2,1H3
InChIKeyPOAOPJWYIQIABD-UHFFFAOYSA-N
MW821.64 g/mol
LogP1.89
Rot. Bonds4

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

[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one (PubChem CID 90910914) has the molecular formula C35H34Cl2N12O8 and a molecular weight of 821.64 g/mol. Its IUPAC name is [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one.

Molecular Properties

Compound Name[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one
PubChem CID90910914
Molecular FormulaC35H34Cl2N12O8
Molecular Weight821.64 g/mol
Exact Mass820.20
IUPAC Name[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one
SMILESCC(=O)OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1.CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1=O.CN1CCNCC1=O
InChIInChI=1S/C17H15ClN6O4.C13H9ClN4O3.C5H10N2O/c1-22-6-7-23(9-12(22)25)17(27)28-16-14-13(19-4-5-20-14)15(26)24(16)11-3-2-10(18)8-21-11;1-7(19)21-13-11-10(15-4-5-16-11)12(20)18(13)9-3-2-8(14)6-17-9;1-7-3-2-6-4-5(7)8/h2-5,8,16H,6-7,9H2,1H3;2-6,13H,1H3;6H,2-4H2,1H3
InChIKeyPOAOPJWYIQIABD-UHFFFAOYSA-N
XLogP1.89
TPSA226.45 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.64
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one 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 [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one?
The IUPAC name of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one (CID 90910914) is [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one.
What is the SMILES notation for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one?
The canonical SMILES for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one is CC(=O)OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1.CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1=O.CN1CCNCC1=O.
What is the InChIKey of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one?
The InChIKey is POAOPJWYIQIABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O4.C13H9ClN4O3.C5H10N2O/c1-22-6-7-23(9-12(22)25)17(27)28-16-14-13(19-4-5-20-14)15(26)24(16)11-3-2-10(18)8-21-11;1-7(19)21-13-11-10(15-4-5-16-11)12(20)18(13)9-3-2-8(14)6-17-9;1-7-3-2-6-4-5(7)8/h2-5,8,16H,6-7,9H2,1H3;2-6,13H,1H3;6H,2-4H2,1H3.
What are the key properties of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one?
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one has a molecular weight of 821.64 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate;[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3-oxopiperazine-1-carboxylate;1-methylpiperazin-2-one is sourced from PubChem (CID 90910914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).