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

C35H29ClN12O10 — CID 91460015

IUPAC[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate
SMILESCN1C(=O)CN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1=O.Cc1ccc(N2C(=O)c3nccnc3[C@H]2OC(=O)N2CC(=O)N(C)C(=O)C2)nc1
InChIInChI=1S/C18H16N6O5.C17H13ClN6O5/c1-10-3-4-11(21-7-10)24-16(27)14-15(20-6-5-19-14)17(24)29-18(28)23-8-12(25)22(2)13(26)9-23;1-22-11(25)7-23(8-12(22)26)17(28)29-16-14-13(19-4-5-20-14)15(27)24(16)10-3-2-9(18)6-21-10/h3-7,17H,8-9H2,1-2H3;2-6,16H,7-8H2,1H3/t17-;16-/m10/s1
InChIKeyBLFGUYFZXSSPTK-FQXYWEJZSA-N
MW813.14 g/mol
LogP0.90
Rot. Bonds4

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

[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate (PubChem CID 91460015) has the molecular formula C35H29ClN12O10 and a molecular weight of 813.14 g/mol. Its IUPAC name is [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate.

Molecular Properties

Compound Name[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate
PubChem CID91460015
Molecular FormulaC35H29ClN12O10
Molecular Weight813.14 g/mol
Exact Mass812.18
IUPAC Name[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate
SMILESCN1C(=O)CN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1=O.Cc1ccc(N2C(=O)c3nccnc3[C@H]2OC(=O)N2CC(=O)N(C)C(=O)C2)nc1
InChIInChI=1S/C18H16N6O5.C17H13ClN6O5/c1-10-3-4-11(21-7-10)24-16(27)14-15(20-6-5-19-14)17(24)29-18(28)23-8-12(25)22(2)13(26)9-23;1-22-11(25)7-23(8-12(22)26)17(28)29-16-14-13(19-4-5-20-14)15(27)24(16)10-3-2-9(18)6-21-10/h3-7,17H,8-9H2,1-2H3;2-6,16H,7-8H2,1H3/t17-;16-/m10/s1
InChIKeyBLFGUYFZXSSPTK-FQXYWEJZSA-N
XLogP0.90
TPSA251.80 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.14
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] ethenyl carbonate
CID 59870642
6-(7-Chloro-1,8-naphthyridin-2-yl)-6,7-dihydro-7-oxo-5H-pyrrole(3,4-b)pyrazin-5-yl dimethylcarbamate
CID 22754757

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] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate?
The IUPAC name of [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate (CID 91460015) is [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate.
What is the SMILES notation for [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate?
The canonical SMILES for [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate is CN1C(=O)CN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1=O.Cc1ccc(N2C(=O)c3nccnc3[C@H]2OC(=O)N2CC(=O)N(C)C(=O)C2)nc1.
What is the InChIKey of [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate?
The InChIKey is BLFGUYFZXSSPTK-FQXYWEJZSA-N. The full InChI is InChI=1S/C18H16N6O5.C17H13ClN6O5/c1-10-3-4-11(21-7-10)24-16(27)14-15(20-6-5-19-14)17(24)29-18(28)23-8-12(25)22(2)13(26)9-23;1-22-11(25)7-23(8-12(22)26)17(28)29-16-14-13(19-4-5-20-14)15(27)24(16)10-3-2-9(18)6-21-10/h3-7,17H,8-9H2,1-2H3;2-6,16H,7-8H2,1H3/t17-;16-/m10/s1.
What are the key properties of [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate?
[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate has a molecular weight of 813.14 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 16 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] 4-methyl-3,5-dioxopiperazine-1-carboxylate;[(7R)-6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methyl-3,5-dioxopiperazine-1-carboxylate is sourced from PubChem (CID 91460015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).