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

C125H133F5N18O22 — CID 159332445

IUPAC3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[2H]C([2H])(Nc1cccc2c1C([2H])([2H])N(C1([2H])CCC(=O)NC1=O)C2=O)c1cccc(C([2H])([2H])N2C([2H])([2H])C([2H])([2H])OC([2H])([2H])C2([2H])[2H])c1F.[2H]C([2H])(Nc1cccc2c1C([2H])([2H])N(C1CCC(=O)NC1=O)C2=O)c1cccc(C([2H])([2H])N2C([2H])([2H])C([2H])([2H])OC([2H])([2H])C2([2H])[2H])c1F.[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(Cc2cccc(CNc3cccc4c3CN(C3([2H])C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2F)C1([2H])[2H].[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(Cc2cccc(COc3cccc4c3CN(C3([2H])C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2F)C1([2H])[2H].[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(Cc2cccc(COc3cccc4c3CN(C3C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2F)C1([2H])[2H]
InChIInChI=1S/3C25H27FN4O4.2C25H26FN3O5/c3*26-23-16(3-1-4-17(23)14-29-9-11-34-12-10-29)13-27-20-6-2-5-18-19(20)15-30(25(18)33)21-7-8-22(31)28-24(21)32;2*26-23-16(13-28-9-11-33-12-10-28)3-1-4-17(23)15-34-21-6-2-5-18-19(21)14-29(25(18)32)20-7-8-22(30)27-24(20)31/h3*1-6,21,27H,7-15H2,(H,28,31,32);2*1-6,20H,7-15H2,(H,27,30,31)/i9D2,10D2,11D2,12D2,13D2,14D2,15D2,21D;9D2,10D2,11D2,12D2,13D2,14D2,15D2;7D2,8D2,9D2,10D2,11D2,12D2,21D;7D2,8D2,9D2,10D2,11D2,12D2,20D;7D2,8D2,9D2,10D2,11D2,12D2
InChIKeyLFCVTJIXKVUBQG-CLGXOPHRSA-N
MW2401.94 g/mol
LogP10.09
Rot. Bonds30

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

3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 159332445) has the molecular formula C125H133F5N18O22 and a molecular weight of 2401.94 g/mol. Its IUPAC name is 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID159332445
Molecular FormulaC125H133F5N18O22
Molecular Weight2401.94 g/mol
Exact Mass2400.40
IUPAC Name3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[2H]C([2H])(Nc1cccc2c1C([2H])([2H])N(C1([2H])CCC(=O)NC1=O)C2=O)c1cccc(C([2H])([2H])N2C([2H])([2H])C([2H])([2H])OC([2H])([2H])C2([2H])[2H])c1F.[2H]C([2H])(Nc1cccc2c1C([2H])([2H])N(C1CCC(=O)NC1=O)C2=O)c1cccc(C([2H])([2H])N2C([2H])([2H])C([2H])([2H])OC([2H])([2H])C2([2H])[2H])c1F.[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(Cc2cccc(CNc3cccc4c3CN(C3([2H])C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2F)C1([2H])[2H].[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(Cc2cccc(COc3cccc4c3CN(C3([2H])C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2F)C1([2H])[2H].[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(Cc2cccc(COc3cccc4c3CN(C3C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2F)C1([2H])[2H]
InChIInChI=1S/3C25H27FN4O4.2C25H26FN3O5/c3*26-23-16(3-1-4-17(23)14-29-9-11-34-12-10-29)13-27-20-6-2-5-18-19(20)15-30(25(18)33)21-7-8-22(31)28-24(21)32;2*26-23-16(13-28-9-11-33-12-10-28)3-1-4-17(23)15-34-21-6-2-5-18-19(21)14-29(25(18)32)20-7-8-22(30)27-24(20)31/h3*1-6,21,27H,7-15H2,(H,28,31,32);2*1-6,20H,7-15H2,(H,27,30,31)/i9D2,10D2,11D2,12D2,13D2,14D2,15D2,21D;9D2,10D2,11D2,12D2,13D2,14D2,15D2;7D2,8D2,9D2,10D2,11D2,12D2,21D;7D2,8D2,9D2,10D2,11D2,12D2,20D;7D2,8D2,9D2,10D2,11D2,12D2
InChIKeyLFCVTJIXKVUBQG-CLGXOPHRSA-N
XLogP10.09
TPSA449.30 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002401.94
LogP ≤ 510.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

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

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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 159332445) is 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is [2H]C([2H])(Nc1cccc2c1C([2H])([2H])N(C1([2H])CCC(=O)NC1=O)C2=O)c1cccc(C([2H])([2H])N2C([2H])([2H])C([2H])([2H])OC([2H])([2H])C2([2H])[2H])c1F.[2H]C([2H])(Nc1cccc2c1C([2H])([2H])N(C1CCC(=O)NC1=O)C2=O)c1cccc(C([2H])([2H])N2C([2H])([2H])C([2H])([2H])OC([2H])([2H])C2([2H])[2H])c1F.[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(Cc2cccc(CNc3cccc4c3CN(C3([2H])C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2F)C1([2H])[2H].[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(Cc2cccc(COc3cccc4c3CN(C3([2H])C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2F)C1([2H])[2H].[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(Cc2cccc(COc3cccc4c3CN(C3C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2F)C1([2H])[2H].
What is the InChIKey of 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is LFCVTJIXKVUBQG-CLGXOPHRSA-N. The full InChI is InChI=1S/3C25H27FN4O4.2C25H26FN3O5/c3*26-23-16(3-1-4-17(23)14-29-9-11-34-12-10-29)13-27-20-6-2-5-18-19(20)15-30(25(18)33)21-7-8-22(31)28-24(21)32;2*26-23-16(13-28-9-11-33-12-10-28)3-1-4-17(23)15-34-21-6-2-5-18-19(21)14-29(25(18)32)20-7-8-22(30)27-24(20)31/h3*1-6,21,27H,7-15H2,(H,28,31,32);2*1-6,20H,7-15H2,(H,27,30,31)/i9D2,10D2,11D2,12D2,13D2,14D2,15D2,21D;9D2,10D2,11D2,12D2,13D2,14D2,15D2;7D2,8D2,9D2,10D2,11D2,12D2,21D;7D2,8D2,9D2,10D2,11D2,12D2,20D;7D2,8D2,9D2,10D2,11D2,12D2.
What are the key properties of 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2401.94 g/mol, XLogP of 10.09, 30 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[3-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-3-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 159332445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).