2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione

C36H33FN8O5 — CID 175880370

About 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione (PubChem CID 175880370) has the molecular formula C36H33FN8O5 and a molecular weight of 676.71 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione
• PubChem CID: 175880370
• Molecular Formula: C36H33FN8O5
• Molecular Weight: 676.71 g/mol
• Exact Mass: 676.26
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cc(F)c(N4CC5CC4CN5CC4CCN(c5ccc(-c6ccc7c(c6)C(=O)N=C7)nn5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C36H33FN8O5/c37-27-13-25-26(36(50)45(35(25)49)29-4-6-32(46)39-34(29)48)14-30(27)44-18-22-12-23(44)17-43(22)16-19-7-9-42(10-8-19)31-5-3-28(40-41-31)20-1-2-21-15-38-33(47)24(21)11-20/h1-3,5,11,13-15,19,22-23,29H,4,6-10,12,16-18H2,(H,39,46,48)
• InChIKey: HTCORIXEOYSZRI-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 148.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	676.71
LogP ≤ 5	2.44
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 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione (CID 175880370) is 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cc(F)c(N4CC5CC4CN5CC4CCN(c5ccc(-c6ccc7c(c6)C(=O)N=C7)nn5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione?

The InChIKey is HTCORIXEOYSZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33FN8O5/c37-27-13-25-26(36(50)45(35(25)49)29-4-6-32(46)39-34(29)48)14-30(27)44-18-22-12-23(44)17-43(22)16-19-7-9-42(10-8-19)31-5-3-28(40-41-31)20-1-2-21-15-38-33(47)24(21)11-20/h1-3,5,11,13-15,19,22-23,29H,4,6-10,12,16-18H2,(H,39,46,48).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione has a molecular weight of 676.71 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[5-[[1-[6-(3-oxoisoindol-5-yl)pyridazin-3-yl]piperidin-4-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 175880370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).