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

C25H21N5O4S2 — CID 178100950

About 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-thiophen-2-ylphenyl)-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-(3-thiophen-2-ylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 178100950) has the molecular formula C25H21N5O4S2 and a molecular weight of 519.61 g/mol. Its IUPAC name is 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-thiophen-2-ylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

• Compound Name: 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-thiophen-2-ylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
• PubChem CID: 178100950
• Molecular Formula: C25H21N5O4S2
• Molecular Weight: 519.61 g/mol
• Exact Mass: 519.10
• IUPAC Name: 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-thiophen-2-ylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
• SMILES: O=C1CCC(N2C(=O)C3=C(C2=O)N(Cc2nc(-c4cccc(-c5cccs5)c4)ns2)CCC3)C(=O)N1
• InChI: InChI=1S/C25H21N5O4S2/c31-19-9-8-17(23(32)26-19)30-24(33)16-6-2-10-29(21(16)25(30)34)13-20-27-22(28-36-20)15-5-1-4-14(12-15)18-7-3-11-35-18/h1,3-5,7,11-12,17H,2,6,8-10,13H2,(H,26,31,32)
• InChIKey: GOLRZXDTNPYGPE-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 112.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.61
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-thiophen-2-ylphenyl)-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-(3-thiophen-2-ylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione (CID 178100950) is 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-thiophen-2-ylphenyl)-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-(3-thiophen-2-ylphenyl)-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-(3-thiophen-2-ylphenyl)-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(-c4cccc(-c5cccs5)c4)ns2)CCC3)C(=O)N1.

What is the InChIKey of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-thiophen-2-ylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione?

The InChIKey is GOLRZXDTNPYGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4S2/c31-19-9-8-17(23(32)26-19)30-24(33)16-6-2-10-29(21(16)25(30)34)13-20-27-22(28-36-20)15-5-1-4-14(12-15)18-7-3-11-35-18/h1,3-5,7,11-12,17H,2,6,8-10,13H2,(H,26,31,32).

What are the key properties of 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-thiophen-2-ylphenyl)-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-(3-thiophen-2-ylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 519.61 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-thiophen-2-ylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 178100950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).