3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione

C25H26FN3O5 — CID 153447451

About 3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione

3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione (PubChem CID 153447451) has the molecular formula C25H26FN3O5 and a molecular weight of 483.59 g/mol. Its IUPAC name is 3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 153447451
• Molecular Formula: C25H26FN3O5
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.29
• IUPAC Name: 3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
• SMILES: [2H]C([2H])(Oc1cccc2c1C([2H])([2H])N(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1ccc(CN2C([2H])([2H])C([2H])([2H])OC([2H])([2H])C2([2H])[2H])cc1F
• InChI: InChI=1S/C25H26FN3O5/c26-20-12-16(13-28-8-10-33-11-9-28)4-5-17(20)15-34-22-3-1-2-18-19(22)14-29(25(18)32)21-6-7-23(30)27-24(21)31/h1-5,12,21H,6-11,13-15H2,(H,27,30,31)/i6D2,7D2,8D2,9D2,10D2,11D2,14D2,15D2
• InChIKey: LSWTTWZVLFJNEN-RREWLLCWSA-N
• XLogP: 2.00
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione (CID 153447451) is 3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione is [2H]C([2H])(Oc1cccc2c1C([2H])([2H])N(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2=O)c1ccc(CN2C([2H])([2H])C([2H])([2H])OC([2H])([2H])C2([2H])[2H])cc1F.

What is the InChIKey of 3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione?

The InChIKey is LSWTTWZVLFJNEN-RREWLLCWSA-N. The full InChI is InChI=1S/C25H26FN3O5/c26-20-12-16(13-28-8-10-33-11-9-28)4-5-17(20)15-34-22-3-1-2-18-19(22)14-29(25(18)32)21-6-7-23(30)27-24(21)31/h1-5,12,21H,6-11,13-15H2,(H,27,30,31)/i6D2,7D2,8D2,9D2,10D2,11D2,14D2,15D2.

What are the key properties of 3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione?

3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 483.59 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[dideuterio-[2-fluoro-4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 153447451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).