3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione

C203H242F7N25O31 — CID 157358338

IUPAC3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
SMILES[2H]C1(N2C(=O)c3cccc(NCc4ccc(CN5CC(C)(C)OC(C)(C)C5)cc4F)c3C2([2H])[2H])CCC(=O)NC1=O.[2H]C1([2H])c2c(NCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])c2c(NCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])c2c(NCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1CCC(=O)NC1=O.[2H]C1([2H])c2c(OCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])c2c(OCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])c2c(OCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/4C29H35FN4O4.3C29H34FN3O5/c4*1-28(2)16-33(17-29(3,4)38-28)14-18-8-9-19(22(30)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;3*1-28(2)16-32(17-29(3,4)38-28)13-18-8-9-19(22(30)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/h4*5-9,12,24,31H,10-11,13-17H2,1-4H3,(H,32,35,36);3*5-9,12,23H,10-11,13-17H2,1-4H3,(H,31,34,35)/i10D2,11D2,15D2,24D;10D2,11D2,15D2;15D2,24D;15D2;10D2,11D2,14D2,23D;10D2,11D2,14D2;14D2
InChIKeyBIISXCFSEHESOF-HDZHFWISSA-N
MW3694.50 g/mol
LogP25.02
Rot. Bonds42

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

3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione (PubChem CID 157358338) has the molecular formula C203H242F7N25O31 and a molecular weight of 3694.50 g/mol. Its IUPAC name is 3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
PubChem CID157358338
Molecular FormulaC203H242F7N25O31
Molecular Weight3694.50 g/mol
Exact Mass3692.01
IUPAC Name3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione
SMILES[2H]C1(N2C(=O)c3cccc(NCc4ccc(CN5CC(C)(C)OC(C)(C)C5)cc4F)c3C2([2H])[2H])CCC(=O)NC1=O.[2H]C1([2H])c2c(NCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])c2c(NCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])c2c(NCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1CCC(=O)NC1=O.[2H]C1([2H])c2c(OCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])c2c(OCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])c2c(OCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/4C29H35FN4O4.3C29H34FN3O5/c4*1-28(2)16-33(17-29(3,4)38-28)14-18-8-9-19(22(30)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;3*1-28(2)16-32(17-29(3,4)38-28)13-18-8-9-19(22(30)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/h4*5-9,12,24,31H,10-11,13-17H2,1-4H3,(H,32,35,36);3*5-9,12,23H,10-11,13-17H2,1-4H3,(H,31,34,35)/i10D2,11D2,15D2,24D;10D2,11D2,15D2;15D2,24D;15D2;10D2,11D2,14D2,23D;10D2,11D2,14D2;14D2
InChIKeyBIISXCFSEHESOF-HDZHFWISSA-N
XLogP25.02
TPSA628.46 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003694.50
LogP ≤ 525.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Analyze 3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-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-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione (CID 157358338) is 3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione is [2H]C1(N2C(=O)c3cccc(NCc4ccc(CN5CC(C)(C)OC(C)(C)C5)cc4F)c3C2([2H])[2H])CCC(=O)NC1=O.[2H]C1([2H])c2c(NCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])c2c(NCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])c2c(NCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1CCC(=O)NC1=O.[2H]C1([2H])c2c(OCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1([2H])C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])c2c(OCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H].[2H]C1([2H])c2c(OCc3ccc(CN4CC(C)(C)OC(C)(C)C4)cc3F)cccc2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is BIISXCFSEHESOF-HDZHFWISSA-N. The full InChI is InChI=1S/4C29H35FN4O4.3C29H34FN3O5/c4*1-28(2)16-33(17-29(3,4)38-28)14-18-8-9-19(22(30)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;3*1-28(2)16-32(17-29(3,4)38-28)13-18-8-9-19(22(30)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/h4*5-9,12,24,31H,10-11,13-17H2,1-4H3,(H,32,35,36);3*5-9,12,23H,10-11,13-17H2,1-4H3,(H,31,34,35)/i10D2,11D2,15D2,24D;10D2,11D2,15D2;15D2,24D;15D2;10D2,11D2,14D2,23D;10D2,11D2,14D2;14D2.
What are the key properties of 3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione?
3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 3694.50 g/mol, XLogP of 25.02, 42 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[1,1-dideuterio-7-[[2-fluoro-4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxoisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 157358338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).