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

C21H19N5O4S — CID 178100951

IUPAC6-(2,6-dioxopiperidin-3-yl)-1-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nc(-c4ccccc4)ns2)CCC3)C(=O)N1
InChIInChI=1S/C21H19N5O4S/c27-15-9-8-14(19(28)22-15)26-20(29)13-7-4-10-25(17(13)21(26)30)11-16-23-18(24-31-16)12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2,(H,22,27,28)
InChIKeyAGOYKKPRWCIWEL-UHFFFAOYSA-N
MW437.48 g/mol
LogP1.23
Rot. Bonds4

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

6-(2,6-dioxopiperidin-3-yl)-1-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 178100951) 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-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2,6-dioxopiperidin-3-yl)-1-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID178100951
Molecular FormulaC21H19N5O4S
Molecular Weight437.48 g/mol
Exact Mass437.12
IUPAC Name6-(2,6-dioxopiperidin-3-yl)-1-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nc(-c4ccccc4)ns2)CCC3)C(=O)N1
InChIInChI=1S/C21H19N5O4S/c27-15-9-8-14(19(28)22-15)26-20(29)13-7-4-10-25(17(13)21(26)30)11-16-23-18(24-31-16)12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2,(H,22,27,28)
InChIKeyAGOYKKPRWCIWEL-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-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-1-[(3-phenyl-1,2,4-thiadiazol-5-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-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (CID 178100951) is 6-(2,6-dioxopiperidin-3-yl)-1-[(3-phenyl-1,2,4-thiadiazol-5-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-[(3-phenyl-1,2,4-thiadiazol-5-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-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is O=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nc(-c4ccccc4)ns2)CCC3)C(=O)N1.
What is the InChIKey of 6-(2,6-dioxopiperidin-3-yl)-1-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is AGOYKKPRWCIWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S/c27-15-9-8-14(19(28)22-15)26-20(29)13-7-4-10-25(17(13)21(26)30)11-16-23-18(24-31-16)12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2,(H,22,27,28).
What are the key properties of 6-(2,6-dioxopiperidin-3-yl)-1-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2,6-dioxopiperidin-3-yl)-1-[(3-phenyl-1,2,4-thiadiazol-5-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-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 178100951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).