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

C135H153F5N18O22 — CID 157361467

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

3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-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-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 157361467) has the molecular formula C135H153F5N18O22 and a molecular weight of 2502.97 g/mol. Its IUPAC name is 3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-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-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-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-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 157361467
• Molecular Formula: C135H153F5N18O22
• Molecular Weight: 2502.97 g/mol
• Exact Mass: 2501.31
• IUPAC Name: 3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-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-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-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)OC(C)C2)ccc1F.[2H]C([2H])(Nc1cccc2c1CN(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1cc(CN2CC(C)OC(C)C2)ccc1F.[2H]C([2H])(Oc1cccc2c1CN(C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1cc(CN2CC(C)OC(C)C2)ccc1F.[2H]C([2H])(Oc1cccc2c1CN(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1cc(CN2CC(C)OC(C)C2)ccc1F.[2H]C([2H])(c1ccc(F)c(CNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1)N1CC(C)OC(C)C1
• InChI: InChI=1S/3C27H31FN4O4.2C27H30FN3O5/c3*1-16-12-31(13-17(2)36-16)14-18-6-7-22(28)19(10-18)11-29-23-5-3-4-20-21(23)15-32(27(20)35)24-8-9-25(33)30-26(24)34;2*1-16-11-30(12-17(2)36-16)13-18-6-7-22(28)19(10-18)15-35-24-5-3-4-20-21(24)14-31(27(20)34)23-8-9-25(32)29-26(23)33/h3*3-7,10,16-17,24,29H,8-9,11-15H2,1-2H3,(H,30,33,34);2*3-7,10,16-17,23H,8-9,11-15H2,1-2H3,(H,29,32,33)/i8D2,9D2,11D2,24D;8D2,9D2,11D2;14D2;8D2,9D2,15D2,23D;8D2,9D2,15D2
• InChIKey: BIRMYKDDGSZANB-UDMYEFFTSA-N
• XLogP: 13.97
• TPSA: 449.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2502.97
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-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-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 157361467) is 3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-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-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

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

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

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

The InChIKey is BIRMYKDDGSZANB-UDMYEFFTSA-N. The full InChI is InChI=1S/3C27H31FN4O4.2C27H30FN3O5/c3*1-16-12-31(13-17(2)36-16)14-18-6-7-22(28)19(10-18)11-29-23-5-3-4-20-21(23)15-32(27(20)35)24-8-9-25(33)30-26(24)34;2*1-16-11-30(12-17(2)36-16)13-18-6-7-22(28)19(10-18)15-35-24-5-3-4-20-21(24)14-31(27(20)34)23-8-9-25(32)29-26(23)33/h3*3-7,10,16-17,24,29H,8-9,11-15H2,1-2H3,(H,30,33,34);2*3-7,10,16-17,23H,8-9,11-15H2,1-2H3,(H,29,32,33)/i8D2,9D2,11D2,24D;8D2,9D2,11D2;14D2;8D2,9D2,15D2,23D;8D2,9D2,15D2.

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

3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-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-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2502.97 g/mol, XLogP of 13.97, 30 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-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-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[dideuterio-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 157361467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).