2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione

C46H43N7O6 — CID 135147164

About 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione (PubChem CID 135147164) has the molecular formula C46H43N7O6 and a molecular weight of 789.89 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione
• PubChem CID: 135147164
• Molecular Formula: C46H43N7O6
• Molecular Weight: 789.89 g/mol
• Exact Mass: 789.33
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CC(C5CCN(CCOc6ccc(-n7cc(-c8ccc9c(c8)CCC9=O)c(-c8ccncc8)n7)cc6)CC5)C4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C46H43N7O6/c54-41-11-2-30-23-31(1-8-36(30)41)39-27-52(49-43(39)29-13-17-47-18-14-29)33-3-6-35(7-4-33)59-22-21-50-19-15-28(16-20-50)32-25-51(26-32)34-5-9-37-38(24-34)46(58)53(45(37)57)40-10-12-42(55)48-44(40)56/h1,3-9,13-14,17-18,23-24,27-28,32,40H,2,10-12,15-16,19-22,25-26H2,(H,48,55,56)
• InChIKey: GXLITCVYNRGMSL-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 147.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	789.89
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione (CID 135147164) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CC(C5CCN(CCOc6ccc(-n7cc(-c8ccc9c(c8)CCC9=O)c(-c8ccncc8)n7)cc6)CC5)C4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione?

The InChIKey is GXLITCVYNRGMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43N7O6/c54-41-11-2-30-23-31(1-8-36(30)41)39-27-52(49-43(39)29-13-17-47-18-14-29)33-3-6-35(7-4-33)59-22-21-50-19-15-28(16-20-50)32-25-51(26-32)34-5-9-37-38(24-34)46(58)53(45(37)57)40-10-12-42(55)48-44(40)56/h1,3-9,13-14,17-18,23-24,27-28,32,40H,2,10-12,15-16,19-22,25-26H2,(H,48,55,56).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione has a molecular weight of 789.89 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 135147164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).