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Eszopiclone

C17H17ClN6O3 — CID 969472

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1
InChIKeyGBBSUAFBMRNDJC-INIZCTEOSA-N
MW388.82 g/mol
LogP1.57
Rot. Bonds2

About Eszopiclone

Eszopiclone (PubChem CID 969472) has the molecular formula C17H17ClN6O3 and a molecular weight of 388.82 g/mol. Its IUPAC name is [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound NameEszopiclone
PubChem CID969472
Molecular FormulaC17H17ClN6O3
Molecular Weight388.82 g/mol
Exact Mass388.11
IUPAC Name[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1
InChIKeyGBBSUAFBMRNDJC-INIZCTEOSA-N
XLogP1.57
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Zopiclone
CID 5735
(5R)-Zopiclone
CID 941731
6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo(3,4-b)pyrazin-5-one
CID 6451972
tert-butyl 7-chloro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10625035
methyl 1-[(6-chloro-2-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}imidazo[1,2-a]pyridin-3-yl)methyl]-4-piperidinecarboxylate
CID 24817175
(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
RP-48497
CID 46782904
Ethyl 6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 800334

Frequently Asked Questions

What is the IUPAC name of Eszopiclone?
The IUPAC name of Eszopiclone (CID 969472) is [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for Eszopiclone?
The canonical SMILES for Eszopiclone is CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1.
What is the InChIKey of Eszopiclone?
The InChIKey is GBBSUAFBMRNDJC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m0/s1.
What are the key properties of Eszopiclone?
Eszopiclone has a molecular weight of 388.82 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Eszopiclone is sourced from PubChem (CID 969472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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