6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

C21H19N5O4S — CID 178100779

IUPAC6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nsc(-c4ccccc4)n2)CCC3)C(=O)N1
InChIInChI=1S/C21H19N5O4S/c27-16-9-8-14(18(28)23-16)26-20(29)13-7-4-10-25(17(13)21(26)30)11-15-22-19(31-24-15)12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2,(H,23,27,28)
InChIKeyALIXMXHCEURFKW-UHFFFAOYSA-N
MW437.48 g/mol
LogP1.23
Rot. Bonds4

About 6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione

6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 178100779) has the molecular formula C21H19N5O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is 6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID178100779
Molecular FormulaC21H19N5O4S
Molecular Weight437.48 g/mol
Exact Mass437.12
IUPAC Name6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nsc(-c4ccccc4)n2)CCC3)C(=O)N1
InChIInChI=1S/C21H19N5O4S/c27-16-9-8-14(18(28)23-16)26-20(29)13-7-4-10-25(17(13)21(26)30)11-15-22-19(31-24-15)12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2,(H,23,27,28)
InChIKeyALIXMXHCEURFKW-UHFFFAOYSA-N
XLogP1.23
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione with MolForge

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Related Compounds

6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-pyridin-3-ylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101046
6-(2,6-dioxopiperidin-3-yl)-1-[[3-[3-(2-methylpyrimidin-5-yl)phenyl]-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101061
6-(2,6-dioxopiperidin-3-yl)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101139
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178100840
3-[3-[methyl-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]amino]-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 178154935
1-[[3-(2-chloro-3-pyrimidin-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178100884
1-[[3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101041
6-(2,6-dioxopiperidin-3-yl)-1-[(3-quinolin-5-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101120
6-(2,6-dioxopiperidin-3-yl)-1-[[3-[2-fluoro-3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101098
1-[[3-(2-chloro-3-pyrimidin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178100909
[3-[5,7-dioxo-1-[[3-(3-phenylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2,6-dioxopiperidin-1-yl] thiohypofluorite
CID 178101043
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (CID 178100779) is 6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is O=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nsc(-c4ccccc4)n2)CCC3)C(=O)N1.
What is the InChIKey of 6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is ALIXMXHCEURFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S/c27-16-9-8-14(18(28)23-16)26-20(29)13-7-4-10-25(17(13)21(26)30)11-15-22-19(31-24-15)12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2,(H,23,27,28).
What are the key properties of 6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 437.48 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dioxopiperidin-3-yl)-1-[(5-phenyl-1,2,4-thiadiazol-3-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 178100779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).