2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C46H46FN5O5 — CID 164922860

About 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 164922860) has the molecular formula C46H46FN5O5 and a molecular weight of 767.90 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 164922860
• Molecular Formula: C46H46FN5O5
• Molecular Weight: 767.90 g/mol
• Exact Mass: 767.35
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C2CCN(CC3(F)CN(c5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)cc5)C3)CC2)C4)C(=O)N1
• InChI: InChI=1S/C46H46FN5O5/c47-46(26-51(27-46)33-9-6-29(7-10-33)42-36(28-4-2-1-3-5-28)12-8-30-20-35(53)11-13-37(30)42)25-49-18-16-34(17-19-49)50-23-31-21-38-39(22-32(31)24-50)45(57)52(44(38)56)40-14-15-41(54)48-43(40)55/h1-7,9-11,13,20-22,34,36,40,42,53H,8,12,14-19,23-27H2,(H,48,54,55)/t36-,40?,42+/m1/s1
• InChIKey: ATMZIEXWQUAYSS-FFWRRKSCSA-N
• XLogP: 5.66
• TPSA: 113.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.90
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 164922860) is 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C2CCN(CC3(F)CN(c5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)cc5)C3)CC2)C4)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is ATMZIEXWQUAYSS-FFWRRKSCSA-N. The full InChI is InChI=1S/C46H46FN5O5/c47-46(26-51(27-46)33-9-6-29(7-10-33)42-36(28-4-2-1-3-5-28)12-8-30-20-35(53)11-13-37(30)42)25-49-18-16-34(17-19-49)50-23-31-21-38-39(22-32(31)24-50)45(57)52(44(38)56)40-14-15-41(54)48-43(40)55/h1-7,9-11,13,20-22,34,36,40,42,53H,8,12,14-19,23-27H2,(H,48,54,55)/t36-,40?,42+/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 767.90 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[3-fluoro-1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 164922860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).