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

C16H15ClN6O3 — CID 45038909

IUPAC[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
SMILES[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)C1([2H])[2H]
InChIInChI=1S/C16H15ClN6O3/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/h1-4,9,15,18H,5-8H2/i5D2,6D2,7D2,8D2
InChIKeyCGSFZSTXVVJLIX-YEBVBAJPSA-N
MW382.84 g/mol
LogP1.23
Rot. Bonds2

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

[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate (PubChem CID 45038909) has the molecular formula C16H15ClN6O3 and a molecular weight of 382.84 g/mol. Its IUPAC name is [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate.

Molecular Properties

Compound Name[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
PubChem CID45038909
Molecular FormulaC16H15ClN6O3
Molecular Weight382.84 g/mol
Exact Mass382.14
IUPAC Name[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
SMILES[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)C1([2H])[2H]
InChIInChI=1S/C16H15ClN6O3/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/h1-4,9,15,18H,5-8H2/i5D2,6D2,7D2,8D2
InChIKeyCGSFZSTXVVJLIX-YEBVBAJPSA-N
XLogP1.23
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

Eszopiclone
CID 969472
Zopiclone
CID 5735
(5R)-Zopiclone
CID 941731
3-(5-Chloropyrid-2-yl)carbamoylpyrazine-2-carboxylic acid
CID 3280818
Zopiclone N-oxide
CID 162548
N-Desmethylzopiclone
CID 162892
6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo(3,4-b)pyrazin-5-one
CID 6451972
Pyrazinic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester
CID 23774933
RP-29753, (S)-
CID 40429779
(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

Frequently Asked Questions

What is the IUPAC name of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate?
The IUPAC name of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate (CID 45038909) is [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate.
What is the SMILES notation for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate?
The canonical SMILES for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate is [2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)C1([2H])[2H].
What is the InChIKey of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate?
The InChIKey is CGSFZSTXVVJLIX-YEBVBAJPSA-N. The full InChI is InChI=1S/C16H15ClN6O3/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/h1-4,9,15,18H,5-8H2/i5D2,6D2,7D2,8D2.
What are the key properties of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate?
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate has a molecular weight of 382.84 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 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] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate is sourced from PubChem (CID 45038909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).