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

C25H22FN7O5 — CID 178101098

About 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

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 (PubChem CID 178101098) has the molecular formula C25H22FN7O5 and a molecular weight of 519.49 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 178101098
• Molecular Formula: C25H22FN7O5
• Molecular Weight: 519.49 g/mol
• Exact Mass: 519.17
• IUPAC Name: 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
• SMILES: Cn1nccc1-c1cccc(-c2noc(CN3CCCC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)c1F
• InChI: InChI=1S/C25H22FN7O5/c1-31-16(9-10-27-31)13-4-2-5-14(20(13)26)22-29-19(38-30-22)12-32-11-3-6-15-21(32)25(37)33(24(15)36)17-7-8-18(34)28-23(17)35/h2,4-5,9-10,17H,3,6-8,11-12H2,1H3,(H,28,34,35)
• InChIKey: RCXRUGKVYIJNLO-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 143.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.49
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-[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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cn1nccc1-c1cccc(-c2noc(CN3CCCC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)c1F.

What is the InChIKey of 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?

The InChIKey is RCXRUGKVYIJNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O5/c1-31-16(9-10-27-31)13-4-2-5-14(20(13)26)22-29-19(38-30-22)12-32-11-3-6-15-21(32)25(37)33(24(15)36)17-7-8-18(34)28-23(17)35/h2,4-5,9-10,17H,3,6-8,11-12H2,1H3,(H,28,34,35).

What are the key properties of 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?

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 has a molecular weight of 519.49 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 178101098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).