4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C138H155BrN24O32 — CID 159067582

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159067582) has the molecular formula C138H155BrN24O32 and a molecular weight of 2741.80 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159067582
• Molecular Formula: C138H155BrN24O32
• Molecular Weight: 2741.80 g/mol
• Exact Mass: 2739.04
• IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: C.C.CC.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(C(=O)COCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCNC1.O=C(COCCOCCBr)OCc1ccccc1.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCC(=O)OCc4ccccc4)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCO)c3C2=O)C(=O)N1
• InChI: InChI=1S/C41H41N9O8.C26H27N3O8.C22H22N6O.C19H23N3O7.C13H17BrO4.C13H11N3O4.C2H6.2CH4/c42-37-35-36(25-11-13-28(14-12-25)58-27-7-2-1-3-8-27)47-50(38(35)45-24-44-37)26-6-5-18-48(22-26)33(52)23-57-21-20-56-19-17-43-30-10-4-9-29-34(30)41(55)49(40(29)54)31-15-16-32(51)46-39(31)53;30-21-10-9-20(24(32)28-21)29-25(33)18-7-4-8-19(23(18)26(29)34)27-11-12-35-13-14-36-16-22(31)37-15-17-5-2-1-3-6-17;23-21-19-20(15-8-10-18(11-9-15)29-17-6-2-1-3-7-17)27-28(22(19)26-14-25-21)16-5-4-12-24-13-16;23-7-9-29-11-10-28-8-6-20-13-3-1-2-12-16(13)19(27)22(18(12)26)14-4-5-15(24)21-17(14)25;14-6-7-16-8-9-17-11-13(15)18-10-12-4-2-1-3-5-12;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-2;;/h1-4,7-14,24,26,31,43H,5-6,15-23H2,(H2,42,44,45)(H,46,51,53);1-8,20,27H,9-16H2,(H,28,30,32);1-3,6-11,14,16,24H,4-5,12-13H2,(H2,23,25,26);1-3,14,20,23H,4-11H2,(H,21,24,25);1-5H,6-11H2;1-3,8H,4-5,14H2,(H,15,17,18);1-2H3;2*1H4
• InChIKey: JZGGSYAXMRCBFR-UHFFFAOYSA-N
• XLogP: 12.30
• TPSA: 733.02 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 47
• Rotatable Bonds: 50
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2741.80
LogP ≤ 5	12.30
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 159067582) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is C.C.CC.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(C(=O)COCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCNC1.O=C(COCCOCCBr)OCc1ccccc1.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCC(=O)OCc4ccccc4)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCO)c3C2=O)C(=O)N1.

What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is JZGGSYAXMRCBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41N9O8.C26H27N3O8.C22H22N6O.C19H23N3O7.C13H17BrO4.C13H11N3O4.C2H6.2CH4/c42-37-35-36(25-11-13-28(14-12-25)58-27-7-2-1-3-8-27)47-50(38(35)45-24-44-37)26-6-5-18-48(22-26)33(52)23-57-21-20-56-19-17-43-30-10-4-9-29-34(30)41(55)49(40(29)54)31-15-16-32(51)46-39(31)53;30-21-10-9-20(24(32)28-21)29-25(33)18-7-4-8-19(23(18)26(29)34)27-11-12-35-13-14-36-16-22(31)37-15-17-5-2-1-3-6-17;23-21-19-20(15-8-10-18(11-9-15)29-17-6-2-1-3-7-17)27-28(22(19)26-14-25-21)16-5-4-12-24-13-16;23-7-9-29-11-10-28-8-6-20-13-3-1-2-12-16(13)19(27)22(18(12)26)14-4-5-15(24)21-17(14)25;14-6-7-16-8-9-17-11-13(15)18-10-12-4-2-1-3-5-12;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-2;;/h1-4,7-14,24,26,31,43H,5-6,15-23H2,(H2,42,44,45)(H,46,51,53);1-8,20,27H,9-16H2,(H,28,30,32);1-3,6-11,14,16,24H,4-5,12-13H2,(H2,23,25,26);1-3,14,20,23H,4-11H2,(H,21,24,25);1-5H,6-11H2;1-3,8H,4-5,14H2,(H,15,17,18);1-2H3;2*1H4.

What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2741.80 g/mol, XLogP of 12.30, 50 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[2-[2-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;benzyl 2-[2-(2-bromoethoxy)ethoxy]acetate;benzyl 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetate;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione;ethane;methane;3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159067582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).