3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C116H138F4N14O18 — CID 157054841

About 3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 157054841) has the molecular formula C116H138F4N14O18 and a molecular weight of 2114.59 g/mol. Its IUPAC name is 3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 157054841
• Molecular Formula: C116H138F4N14O18
• Molecular Weight: 2114.59 g/mol
• Exact Mass: 2113.16
• IUPAC Name: 3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: [2H]C([2H])(Nc1cccc2c1CN(C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1cc(CN2CC(C)(C)OC(C)(C)C2)ccc1F.[2H]C([2H])(Oc1cccc2c1CN(C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1cc(CN2CC(C)(C)OC(C)(C)C2)ccc1F.[2H]C([2H])(Oc1cccc2c1CN(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1cc(CN2CC(C)(C)OC(C)(C)C2)ccc1F.[2H]C([2H])(c1ccc(F)c(CNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1)N1CC(C)(C)OC(C)(C)C1
• InChI: InChI=1S/2C29H35FN4O4.2C29H34FN3O5/c2*1-28(2)16-33(17-29(3,4)38-28)14-18-8-9-22(30)19(12-18)13-31-23-7-5-6-20-21(23)15-34(27(20)37)24-10-11-25(35)32-26(24)36;2*1-28(2)16-32(17-29(3,4)38-28)13-18-8-9-22(30)19(12-18)15-37-24-7-5-6-20-21(24)14-33(27(20)36)23-10-11-25(34)31-26(23)35/h2*5-9,12,24,31H,10-11,13-17H2,1-4H3,(H,32,35,36);2*5-9,12,23H,10-11,13-17H2,1-4H3,(H,31,34,35)/i10D2,11D2,13D2,24D;14D2;10D2,11D2,15D2,23D;10D2,11D2,15D2
• InChIKey: AAPZNQRARCOYMJ-XGMZFBTNSA-N
• XLogP: 14.29
• TPSA: 358.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.59
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 157054841) is 3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is [2H]C([2H])(Nc1cccc2c1CN(C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1cc(CN2CC(C)(C)OC(C)(C)C2)ccc1F.[2H]C([2H])(Oc1cccc2c1CN(C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1cc(CN2CC(C)(C)OC(C)(C)C2)ccc1F.[2H]C([2H])(Oc1cccc2c1CN(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1cc(CN2CC(C)(C)OC(C)(C)C2)ccc1F.[2H]C([2H])(c1ccc(F)c(CNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1)N1CC(C)(C)OC(C)(C)C1.

What is the InChIKey of 3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is AAPZNQRARCOYMJ-XGMZFBTNSA-N. The full InChI is InChI=1S/2C29H35FN4O4.2C29H34FN3O5/c2*1-28(2)16-33(17-29(3,4)38-28)14-18-8-9-22(30)19(12-18)13-31-23-7-5-6-20-21(23)15-34(27(20)37)24-10-11-25(35)32-26(24)36;2*1-28(2)16-32(17-29(3,4)38-28)13-18-8-9-22(30)19(12-18)15-37-24-7-5-6-20-21(24)14-33(27(20)36)23-10-11-25(34)31-26(23)35/h2*5-9,12,24,31H,10-11,13-17H2,1-4H3,(H,32,35,36);2*5-9,12,23H,10-11,13-17H2,1-4H3,(H,31,34,35)/i10D2,11D2,13D2,24D;14D2;10D2,11D2,15D2,23D;10D2,11D2,15D2.

What are the key properties of 3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2114.59 g/mol, XLogP of 14.29, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[[5-[dideuterio-(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[2-fluoro-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 157054841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).