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

C47H48FN5O5 — CID 164924381

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

2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 164924381) has the molecular formula C47H48FN5O5 and a molecular weight of 781.93 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 164924381
• Molecular Formula: C47H48FN5O5
• Molecular Weight: 781.93 g/mol
• Exact Mass: 781.36
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC2CCN(CC3CN(c5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(F)cc6)cc5)C3)CC2)C4)C(=O)N1
• InChI: InChI=1S/C47H48FN5O5/c48-35-6-1-30(2-7-35)38-11-5-32-19-37(54)10-12-39(32)44(38)31-3-8-36(9-4-31)52-24-29(25-52)23-50-17-15-28(16-18-50)22-51-26-33-20-40-41(21-34(33)27-51)47(58)53(46(40)57)42-13-14-43(55)49-45(42)56/h1-4,6-10,12,19-21,28-29,38,42,44,54H,5,11,13-18,22-27H2,(H,49,55,56)/t38-,42?,44+/m1/s1
• InChIKey: GKJMESHTWITUQJ-WWEQOKPKSA-N
• XLogP: 5.96
• TPSA: 113.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.93
LogP ≤ 5	5.96
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-[[1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 164924381) is 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC2CCN(CC3CN(c5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccc(F)cc6)cc5)C3)CC2)C4)C(=O)N1.

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

The InChIKey is GKJMESHTWITUQJ-WWEQOKPKSA-N. The full InChI is InChI=1S/C47H48FN5O5/c48-35-6-1-30(2-7-35)38-11-5-32-19-37(54)10-12-39(32)44(38)31-3-8-36(9-4-31)52-24-29(25-52)23-50-17-15-28(16-18-50)22-51-26-33-20-40-41(21-34(33)27-51)47(58)53(46(40)57)42-13-14-43(55)49-45(42)56/h1-4,6-10,12,19-21,28-29,38,42,44,54H,5,11,13-18,22-27H2,(H,49,55,56)/t38-,42?,44+/m1/s1.

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

2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 781.93 g/mol, XLogP of 5.96, 8 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-[[1-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 164924381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).