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

C108H122F4N14O18 — CID 162139625

About 3-deuterio-3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-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-deuterio-3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-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 (PubChem CID 162139625) has the molecular formula C108H122F4N14O18 and a molecular weight of 1994.32 g/mol. Its IUPAC name is 3-deuterio-3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-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.

Molecular Properties

• Compound Name: 3-deuterio-3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-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
• PubChem CID: 162139625
• Molecular Formula: C108H122F4N14O18
• Molecular Weight: 1994.32 g/mol
• Exact Mass: 1992.99
• IUPAC Name: 3-deuterio-3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-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
• SMILES: [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])(c1ccc(F)c(CNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1)N1CC(C)OC(C)C1.[2H]C([2H])(c1ccc(F)c(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1)N1CC(C)OC(C)C1.[2H]C1(N2Cc3c(NCc4cc(C([2H])([2H])N5CC(C)OC(C)C5)ccc4F)cccc3C2=O)CCC(=O)NC1=O
• InChI: InChI=1S/2C27H31FN4O4.2C27H30FN3O5/c2*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/h2*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)/i14D2,24D;14D2;8D2,9D2,15D2,23D;13D2
• InChIKey: ZJTHFBJKHQSUPA-PZSRQBBHSA-N
• XLogP: 11.17
• TPSA: 358.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1994.32
LogP ≤ 5	11.17
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-deuterio-3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-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?

The IUPAC name of 3-deuterio-3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-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 (CID 162139625) is 3-deuterio-3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-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.

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

The canonical SMILES for 3-deuterio-3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-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 is [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])(c1ccc(F)c(CNc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1)N1CC(C)OC(C)C1.[2H]C([2H])(c1ccc(F)c(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c1)N1CC(C)OC(C)C1.[2H]C1(N2Cc3c(NCc4cc(C([2H])([2H])N5CC(C)OC(C)C5)ccc4F)cccc3C2=O)CCC(=O)NC1=O.

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

The InChIKey is ZJTHFBJKHQSUPA-PZSRQBBHSA-N. The full InChI is InChI=1S/2C27H31FN4O4.2C27H30FN3O5/c2*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/h2*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)/i14D2,24D;14D2;8D2,9D2,15D2,23D;13D2.

What are the key properties of 3-deuterio-3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-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-deuterio-3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-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 has a molecular weight of 1994.32 g/mol, XLogP of 11.17, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-deuterio-3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[5-[dideuterio-(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methoxy]-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 is sourced from PubChem (CID 162139625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).