(2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione

C159H158N16O33S — CID 158577966

About (2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione

(2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione (PubChem CID 158577966) has the molecular formula C159H158N16O33S and a molecular weight of 2853.16 g/mol. Its IUPAC name is (2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione.

Molecular Properties

• Compound Name: (2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione
• PubChem CID: 158577966
• Molecular Formula: C159H158N16O33S
• Molecular Weight: 2853.16 g/mol
• Exact Mass: 2851.09
• IUPAC Name: (2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione
• SMILES: CN1Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)nc2C1.Cc1c(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)oc2ccccc12.Cn1nc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c2ccccc21.O=C1CCC(N2Cc3c(OCC4CCCOC4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC[C@H]5C(=O)O)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccccn4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4nc(CN5CCOCC5)cs4)cccc3C2=O)C(=O)C1
• InChI: InChI=1S/C27H28N2O6.C24H21NO5.C23H25N3O5S.C23H23N3O4.C22H20N4O4.C20H18N2O4.C20H23NO5/c30-19-10-11-22(24(31)13-19)29-15-21-20(26(29)32)3-1-5-25(21)35-16-18-8-6-17(7-9-18)14-28-12-2-4-23(28)27(33)34;1-14-16-5-2-3-7-22(16)30-23(14)13-29-21-8-4-6-17-18(21)12-25(24(17)28)19-10-9-15(26)11-20(19)27;27-16-4-5-19(20(28)10-16)26-12-18-17(23(26)29)2-1-3-21(18)31-13-22-24-15(14-32-22)11-25-6-8-30-9-7-25;1-25-10-14-5-6-15(24-19(14)12-25)13-30-22-4-2-3-17-18(22)11-26(23(17)29)20-8-7-16(27)9-21(20)28;1-25-17-7-3-2-5-14(17)16(24-25)12-30-19-8-4-6-13-15(19)11-26(22(13)29)18-9-10-20(27)23-21(18)28;23-14-7-8-17(18(24)10-14)22-11-16-15(20(22)25)5-3-6-19(16)26-12-13-4-1-2-9-21-13;22-14-6-7-17(18(23)9-14)21-10-16-15(20(21)24)4-1-5-19(16)26-12-13-3-2-8-25-11-13/h1,3,5-9,22-23H,2,4,10-16H2,(H,33,34);2-8,19H,9-13H2,1H3;1-3,14,19H,4-13H2;2-6,20H,7-13H2,1H3;2-8,18H,9-12H2,1H3,(H,23,27,28);1-6,9,17H,7-8,10-12H2;1,4-5,13,17H,2-3,6-12H2/t22?,23-;;;;;;/m0....../s1
• InChIKey: HSWWSWYPUVSDKQ-PEDMWPLFSA-N
• XLogP: 17.74
• TPSA: 592.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 41
• Rotatable Bonds: 33
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2853.16
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The IUPAC name of (2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione (CID 158577966) is (2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione.

What is the SMILES notation for (2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The canonical SMILES for (2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione is CN1Cc2ccc(COc3cccc4c3CN(C3CCC(=O)CC3=O)C4=O)nc2C1.Cc1c(COc2cccc3c2CN(C2CCC(=O)CC2=O)C3=O)oc2ccccc12.Cn1nc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c2ccccc21.O=C1CCC(N2Cc3c(OCC4CCCOC4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC[C@H]5C(=O)O)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccccn4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4nc(CN5CCOCC5)cs4)cccc3C2=O)C(=O)C1.

What is the InChIKey of (2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione?

The InChIKey is HSWWSWYPUVSDKQ-PEDMWPLFSA-N. The full InChI is InChI=1S/C27H28N2O6.C24H21NO5.C23H25N3O5S.C23H23N3O4.C22H20N4O4.C20H18N2O4.C20H23NO5/c30-19-10-11-22(24(31)13-19)29-15-21-20(26(29)32)3-1-5-25(21)35-16-18-8-6-17(7-9-18)14-28-12-2-4-23(28)27(33)34;1-14-16-5-2-3-7-22(16)30-23(14)13-29-21-8-4-6-17-18(21)12-25(24(17)28)19-10-9-15(26)11-20(19)27;27-16-4-5-19(20(28)10-16)26-12-18-17(23(26)29)2-1-3-21(18)31-13-22-24-15(14-32-22)11-25-6-8-30-9-7-25;1-25-10-14-5-6-15(24-19(14)12-25)13-30-22-4-2-3-17-18(22)11-26(23(17)29)20-8-7-16(27)9-21(20)28;1-25-17-7-3-2-5-14(17)16(24-25)12-30-19-8-4-6-13-15(19)11-26(22(13)29)18-9-10-20(27)23-21(18)28;23-14-7-8-17(18(24)10-14)22-11-16-15(20(22)25)5-3-6-19(16)26-12-13-4-1-2-9-21-13;22-14-6-7-17(18(23)9-14)21-10-16-15(20(21)24)4-1-5-19(16)26-12-13-3-2-8-25-11-13/h1,3,5-9,22-23H,2,4,10-16H2,(H,33,34);2-8,19H,9-13H2,1H3;1-3,14,19H,4-13H2;2-6,20H,7-13H2,1H3;2-8,18H,9-12H2,1H3,(H,23,27,28);1-6,9,17H,7-8,10-12H2;1,4-5,13,17H,2-3,6-12H2/t22?,23-;;;;;;/m0....../s1.

What are the key properties of (2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione?

(2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione has a molecular weight of 2853.16 g/mol, XLogP of 17.74, 33 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[[4-[[2-(2,4-dioxocyclohexyl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;4-[7-[(3-methyl-1-benzofuran-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;3-[7-[(1-methylindazol-3-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-(oxan-3-ylmethoxy)-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-(pyridin-2-ylmethoxy)-1H-isoindol-2-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 158577966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).