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

C135H153F5N18O22 — CID 157361451

IUPAC3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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)c1cc(C([2H])([2H])N2C([2H])([2H])C([2H])(C)OC([2H])(C)C2([2H])[2H])ccc1F.[2H]C([2H])(Nc1cccc2c1C([2H])([2H])N(C1CCC(=O)NC1=O)C2=O)c1cc(C([2H])([2H])N2C([2H])([2H])C([2H])(C)OC([2H])(C)C2([2H])[2H])ccc1F.[2H]C1(C)OC([2H])(C)C([2H])([2H])N(Cc2ccc(F)c(CNc3cccc4c3CN(C3([2H])C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2)C1([2H])[2H].[2H]C1(C)OC([2H])(C)C([2H])([2H])N(Cc2ccc(F)c(COc3cccc4c3CN(C3([2H])C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2)C1([2H])[2H].[2H]C1(C)OC([2H])(C)C([2H])([2H])N(Cc2ccc(F)c(COc3cccc4c3CN(C3C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2)C1([2H])[2H]
InChIInChI=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)/i11D2,12D2,13D2,14D2,15D2,16D,17D,24D;11D2,12D2,13D2,14D2,15D2,16D,17D;8D2,9D2,12D2,13D2,16D,17D,24D;8D2,9D2,11D2,12D2,16D,17D,23D;8D2,9D2,11D2,12D2,16D,17D
InChIKeyBIRMYKDDGSZANB-CVAWAPLESA-N
MW2532.15 g/mol
LogP13.97
Rot. Bonds30

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

3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 157361451) has the molecular formula C135H153F5N18O22 and a molecular weight of 2532.15 g/mol. Its IUPAC name is 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID157361451
Molecular FormulaC135H153F5N18O22
Molecular Weight2532.15 g/mol
Exact Mass2530.49
IUPAC Name3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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)c1cc(C([2H])([2H])N2C([2H])([2H])C([2H])(C)OC([2H])(C)C2([2H])[2H])ccc1F.[2H]C([2H])(Nc1cccc2c1C([2H])([2H])N(C1CCC(=O)NC1=O)C2=O)c1cc(C([2H])([2H])N2C([2H])([2H])C([2H])(C)OC([2H])(C)C2([2H])[2H])ccc1F.[2H]C1(C)OC([2H])(C)C([2H])([2H])N(Cc2ccc(F)c(CNc3cccc4c3CN(C3([2H])C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2)C1([2H])[2H].[2H]C1(C)OC([2H])(C)C([2H])([2H])N(Cc2ccc(F)c(COc3cccc4c3CN(C3([2H])C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2)C1([2H])[2H].[2H]C1(C)OC([2H])(C)C([2H])([2H])N(Cc2ccc(F)c(COc3cccc4c3CN(C3C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2)C1([2H])[2H]
InChIInChI=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)/i11D2,12D2,13D2,14D2,15D2,16D,17D,24D;11D2,12D2,13D2,14D2,15D2,16D,17D;8D2,9D2,12D2,13D2,16D,17D,24D;8D2,9D2,11D2,12D2,16D,17D,23D;8D2,9D2,11D2,12D2,16D,17D
InChIKeyBIRMYKDDGSZANB-CVAWAPLESA-N
XLogP13.97
TPSA449.30 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002532.15
LogP ≤ 513.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

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

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Related Compounds

4-[7-[[4-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione;4-[3-oxo-7-[[4-[(4-phenoxypiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 157190342
CID 157236149
CID 157236149
6-[2-[4-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclobutyl]oxypiperidin-1-yl]ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[6-[4-[[4-[[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]phenyl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[6-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[6,6,6-trifluoro-5-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[6,6,6-trifluoro-5-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]hexyl]piperazin-1-yl]-3H-isoindol-1-one
CID 157460765
(4S)-4-[7-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[3-oxo-7-[[4-[[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;trihydrochloride
CID 157740317
(4S)-4-[7-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(3,5-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;tetrahydrochloride
CID 158143169
CID 158223773
CID 158223773
(4S)-4-[7-[[4-[[4-(2,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;trihydrochloride
CID 158258874
N-[1,3-dioxo-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindol-4-yl]acetamide;4-ethynyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-hydroxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methoxy-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;4-methyl-2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(propan-2-ylamino)isoindole-1,3-dione;2-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]-4-(trifluoromethyl)isoindole-1,3-dione
CID 158472005
4-[7-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(3-oxopiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione;dihydrochloride
CID 158527219
4-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[[4-(3-fluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methoxy]isoindole-1,3-dione
CID 158606718
3-[7-[[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;N-[1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperidin-4-yl]acetamide;3-[7-[[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 158889512
2-(2,4-dioxocyclohexyl)-5-[4-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]isoindole-1,3-dione;5-[4-[2-[4-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[(2R,5S)-4-[5-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentyl]-2,5-dimethylpiperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[2-[4-[4-[(1R,2S)-6-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethyl]piperazin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 158894736

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 157361451) is 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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)c1cc(C([2H])([2H])N2C([2H])([2H])C([2H])(C)OC([2H])(C)C2([2H])[2H])ccc1F.[2H]C([2H])(Nc1cccc2c1C([2H])([2H])N(C1CCC(=O)NC1=O)C2=O)c1cc(C([2H])([2H])N2C([2H])([2H])C([2H])(C)OC([2H])(C)C2([2H])[2H])ccc1F.[2H]C1(C)OC([2H])(C)C([2H])([2H])N(Cc2ccc(F)c(CNc3cccc4c3CN(C3([2H])C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2)C1([2H])[2H].[2H]C1(C)OC([2H])(C)C([2H])([2H])N(Cc2ccc(F)c(COc3cccc4c3CN(C3([2H])C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2)C1([2H])[2H].[2H]C1(C)OC([2H])(C)C([2H])([2H])N(Cc2ccc(F)c(COc3cccc4c3CN(C3C(=O)NC(=O)C([2H])([2H])C3([2H])[2H])C4=O)c2)C1([2H])[2H].
What is the InChIKey of 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is BIRMYKDDGSZANB-CVAWAPLESA-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)/i11D2,12D2,13D2,14D2,15D2,16D,17D,24D;11D2,12D2,13D2,14D2,15D2,16D,17D;8D2,9D2,12D2,13D2,16D,17D,24D;8D2,9D2,11D2,12D2,16D,17D,23D;8D2,9D2,11D2,12D2,16D,17D.
What are the key properties of 3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2532.15 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-deuterio-3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methyl]amino]-3-oxoisoindol-2-yl]piperidine-2,6-dione;3-[1,1-dideuterio-7-[[dideuterio-[5-[dideuterio-(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-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-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-5-[(2,3,3,5,5,6-hexadeuterio-2,6-dimethylmorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 157361451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).