5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione

C262H326F2N62O25 — CID 159056006

IUPAC5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(C(F)(F)CN6CCN(c7cc(C8=NCc9ccc(OC(C)C)cc98)ncn7)CC6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCN(CCN6CCN(c7cc(C8=NCc9ccc(OC(C)C)cc98)ncn7)CC6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCN(C)CCCN5CCN(c6cc(-c7n[nH]c8ccc(OC(C)C)cc78)ncn6)C[C@@H]5C)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCN(C)CCN5CCN(c6cc(-c7n[nH]c8ccc(OC(C)C)cc78)ncn6)C[C@@H]5C)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCN(C)CCN5CCN(c6cc(-c7n[nH]c8ccc(OC(C)C)cc78)ncn6)C[C@@H]5C)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCN4CC5(C4)CN(CCN4CCN(c6cc(-c7n[nH]c8ccc(OC(C)C)cc78)ncn6)C[C@@H]4C)C5)cc3C2=O)C(=O)N1
InChIInChI=1S/C46H55F2N9O4.C45H56N10O4.C44H57N11O4.C43H55N11O4.C42H53N11O4.C42H50N10O5/c1-29(2)61-35-7-5-32-25-49-42(37(32)23-35)39-24-41(51-28-50-39)56-20-18-54(19-21-56)27-46(47,48)33-12-14-53(15-13-33)26-31-10-16-55(17-11-31)34-6-8-36-38(22-34)45(60)57(44(36)59)40-9-4-30(3)52-43(40)58;1-30(2)59-35-7-5-33-27-46-42(37(33)25-35)39-26-41(48-29-47-39)54-22-20-51(21-23-54)15-14-50-16-18-52(19-17-50)28-32-10-12-53(13-11-32)34-6-8-36-38(24-34)45(58)55(44(36)57)40-9-4-31(3)49-43(40)56;1-29(2)59-33-10-12-37-36(25-33)41(49-48-37)38-26-40(46-28-45-38)54-23-22-52(31(4)27-54)17-7-15-50(5)14-6-16-51-18-20-53(21-19-51)32-9-11-34-35(24-32)44(58)55(43(34)57)39-13-8-30(3)47-42(39)56;1-28(2)58-32-9-11-36-35(24-32)40(48-47-36)37-25-39(45-27-44-37)53-22-21-51(30(4)26-53)18-15-49(5)13-6-14-50-16-19-52(20-17-50)31-8-10-33-34(23-31)43(57)54(42(33)56)38-12-7-29(3)46-41(38)55;1-27(2)57-31-8-10-35-34(23-31)39(47-46-35)36-24-38(44-26-43-36)52-21-20-50(29(4)25-52)17-13-48(5)12-14-49-15-18-51(19-16-49)30-7-9-32-33(22-30)42(56)53(41(32)55)37-11-6-28(3)45-40(37)54;1-26(2)57-30-7-9-34-33(18-30)38(47-46-34)35-19-37(44-25-43-35)51-14-13-50(28(4)20-51)12-11-48-21-42(22-48)23-49(24-42)15-16-56-29-6-8-31-32(17-29)41(55)52(40(31)54)36-10-5-27(3)45-39(36)53/h5-8,22-24,28-29,31,33,40H,3-4,9-21,25-27H2,1-2H3,(H,52,58);5-8,24-26,29-30,32,40H,3-4,9-23,27-28H2,1-2H3,(H,49,56);9-12,24-26,28-29,31,39H,3,6-8,13-23,27H2,1-2,4-5H3,(H,47,56)(H,48,49);8-11,23-25,27-28,30,38H,3,6-7,12-22,26H2,1-2,4-5H3,(H,46,55)(H,47,48);7-10,22-24,26-27,29,37H,3,6,11-21,25H2,1-2,4-5H3,(H,45,54)(H,46,47);6-9,17-19,25-26,28,36H,3,5,10-16,20-24H2,1-2,4H3,(H,45,53)(H,46,47)/t;;31-,39?;30-,38?;29-,37?;28-,36?/m..0000/s1
InChIKeyJXWDRWKNPHDBRT-SSATUOJFSA-N
MW4781.90 g/mol
LogP24.00
Rot. Bonds73

About 5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione

5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione (PubChem CID 159056006) has the molecular formula C262H326F2N62O25 and a molecular weight of 4781.90 g/mol. Its IUPAC name is 5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
PubChem CID159056006
Molecular FormulaC262H326F2N62O25
Molecular Weight4781.90 g/mol
Exact Mass4778.61
IUPAC Name5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(C(F)(F)CN6CCN(c7cc(C8=NCc9ccc(OC(C)C)cc98)ncn7)CC6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCN(CCN6CCN(c7cc(C8=NCc9ccc(OC(C)C)cc98)ncn7)CC6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCN(C)CCCN5CCN(c6cc(-c7n[nH]c8ccc(OC(C)C)cc78)ncn6)C[C@@H]5C)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCN(C)CCN5CCN(c6cc(-c7n[nH]c8ccc(OC(C)C)cc78)ncn6)C[C@@H]5C)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCN(C)CCN5CCN(c6cc(-c7n[nH]c8ccc(OC(C)C)cc78)ncn6)C[C@@H]5C)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCN4CC5(C4)CN(CCN4CCN(c6cc(-c7n[nH]c8ccc(OC(C)C)cc78)ncn6)C[C@@H]4C)C5)cc3C2=O)C(=O)N1
InChIInChI=1S/C46H55F2N9O4.C45H56N10O4.C44H57N11O4.C43H55N11O4.C42H53N11O4.C42H50N10O5/c1-29(2)61-35-7-5-32-25-49-42(37(32)23-35)39-24-41(51-28-50-39)56-20-18-54(19-21-56)27-46(47,48)33-12-14-53(15-13-33)26-31-10-16-55(17-11-31)34-6-8-36-38(22-34)45(60)57(44(36)59)40-9-4-30(3)52-43(40)58;1-30(2)59-35-7-5-33-27-46-42(37(33)25-35)39-26-41(48-29-47-39)54-22-20-51(21-23-54)15-14-50-16-18-52(19-17-50)28-32-10-12-53(13-11-32)34-6-8-36-38(24-34)45(58)55(44(36)57)40-9-4-31(3)49-43(40)56;1-29(2)59-33-10-12-37-36(25-33)41(49-48-37)38-26-40(46-28-45-38)54-23-22-52(31(4)27-54)17-7-15-50(5)14-6-16-51-18-20-53(21-19-51)32-9-11-34-35(24-32)44(58)55(43(34)57)39-13-8-30(3)47-42(39)56;1-28(2)58-32-9-11-36-35(24-32)40(48-47-36)37-25-39(45-27-44-37)53-22-21-51(30(4)26-53)18-15-49(5)13-6-14-50-16-19-52(20-17-50)31-8-10-33-34(23-31)43(57)54(42(33)56)38-12-7-29(3)46-41(38)55;1-27(2)57-31-8-10-35-34(23-31)39(47-46-35)36-24-38(44-26-43-36)52-21-20-50(29(4)25-52)17-13-48(5)12-14-49-15-18-51(19-16-49)30-7-9-32-33(22-30)42(56)53(41(32)55)37-11-6-28(3)45-40(37)54;1-26(2)57-30-7-9-34-33(18-30)38(47-46-34)35-19-37(44-25-43-35)51-14-13-50(28(4)20-51)12-11-48-21-42(22-48)23-49(24-42)15-16-56-29-6-8-31-32(17-29)41(55)52(40(31)54)36-10-5-27(3)45-39(36)53/h5-8,22-24,28-29,31,33,40H,3-4,9-21,25-27H2,1-2H3,(H,52,58);5-8,24-26,29-30,32,40H,3-4,9-23,27-28H2,1-2H3,(H,49,56);9-12,24-26,28-29,31,39H,3,6-8,13-23,27H2,1-2,4-5H3,(H,47,56)(H,48,49);8-11,23-25,27-28,30,38H,3,6-7,12-22,26H2,1-2,4-5H3,(H,46,55)(H,47,48);7-10,22-24,26-27,29,37H,3,6,11-21,25H2,1-2,4-5H3,(H,45,54)(H,46,47);6-9,17-19,25-26,28,36H,3,5,10-16,20-24H2,1-2,4H3,(H,45,53)(H,46,47)/t;;31-,39?;30-,38?;29-,37?;28-,36?/m..0000/s1
InChIKeyJXWDRWKNPHDBRT-SSATUOJFSA-N
XLogP24.00
TPSA848.33 Ų
H-Bond Donors10
H-Bond Acceptors71
Rotatable Bonds73
Heavy Atoms351
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004781.90
LogP ≤ 524.00
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1071

Analyze 5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?
The IUPAC name of 5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione (CID 159056006) is 5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?
The canonical SMILES for 5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(C(F)(F)CN6CCN(c7cc(C8=NCc9ccc(OC(C)C)cc98)ncn7)CC6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCN(CCN6CCN(c7cc(C8=NCc9ccc(OC(C)C)cc98)ncn7)CC6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCN(C)CCCN5CCN(c6cc(-c7n[nH]c8ccc(OC(C)C)cc78)ncn6)C[C@@H]5C)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCN(C)CCN5CCN(c6cc(-c7n[nH]c8ccc(OC(C)C)cc78)ncn6)C[C@@H]5C)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCN(C)CCN5CCN(c6cc(-c7n[nH]c8ccc(OC(C)C)cc78)ncn6)C[C@@H]5C)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OCCN4CC5(C4)CN(CCN4CCN(c6cc(-c7n[nH]c8ccc(OC(C)C)cc78)ncn6)C[C@@H]4C)C5)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?
The InChIKey is JXWDRWKNPHDBRT-SSATUOJFSA-N. The full InChI is InChI=1S/C46H55F2N9O4.C45H56N10O4.C44H57N11O4.C43H55N11O4.C42H53N11O4.C42H50N10O5/c1-29(2)61-35-7-5-32-25-49-42(37(32)23-35)39-24-41(51-28-50-39)56-20-18-54(19-21-56)27-46(47,48)33-12-14-53(15-13-33)26-31-10-16-55(17-11-31)34-6-8-36-38(22-34)45(60)57(44(36)59)40-9-4-30(3)52-43(40)58;1-30(2)59-35-7-5-33-27-46-42(37(33)25-35)39-26-41(48-29-47-39)54-22-20-51(21-23-54)15-14-50-16-18-52(19-17-50)28-32-10-12-53(13-11-32)34-6-8-36-38(24-34)45(58)55(44(36)57)40-9-4-31(3)49-43(40)56;1-29(2)59-33-10-12-37-36(25-33)41(49-48-37)38-26-40(46-28-45-38)54-23-22-52(31(4)27-54)17-7-15-50(5)14-6-16-51-18-20-53(21-19-51)32-9-11-34-35(24-32)44(58)55(43(34)57)39-13-8-30(3)47-42(39)56;1-28(2)58-32-9-11-36-35(24-32)40(48-47-36)37-25-39(45-27-44-37)53-22-21-51(30(4)26-53)18-15-49(5)13-6-14-50-16-19-52(20-17-50)31-8-10-33-34(23-31)43(57)54(42(33)56)38-12-7-29(3)46-41(38)55;1-27(2)57-31-8-10-35-34(23-31)39(47-46-35)36-24-38(44-26-43-36)52-21-20-50(29(4)25-52)17-13-48(5)12-14-49-15-18-51(19-16-49)30-7-9-32-33(22-30)42(56)53(41(32)55)37-11-6-28(3)45-40(37)54;1-26(2)57-30-7-9-34-33(18-30)38(47-46-34)35-19-37(44-25-43-35)51-14-13-50(28(4)20-51)12-11-48-21-42(22-48)23-49(24-42)15-16-56-29-6-8-31-32(17-29)41(55)52(40(31)54)36-10-5-27(3)45-39(36)53/h5-8,22-24,28-29,31,33,40H,3-4,9-21,25-27H2,1-2H3,(H,52,58);5-8,24-26,29-30,32,40H,3-4,9-23,27-28H2,1-2H3,(H,49,56);9-12,24-26,28-29,31,39H,3,6-8,13-23,27H2,1-2,4-5H3,(H,47,56)(H,48,49);8-11,23-25,27-28,30,38H,3,6-7,12-22,26H2,1-2,4-5H3,(H,46,55)(H,47,48);7-10,22-24,26-27,29,37H,3,6,11-21,25H2,1-2,4-5H3,(H,45,54)(H,46,47);6-9,17-19,25-26,28,36H,3,5,10-16,20-24H2,1-2,4H3,(H,45,53)(H,46,47)/t;;31-,39?;30-,38?;29-,37?;28-,36?/m..0000/s1.
What are the key properties of 5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione?
5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 4781.90 g/mol, XLogP of 24.00, 73 rotatable bonds, 10 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-[1,1-difluoro-2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[2-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]ethyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[methyl-[3-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]propyl]amino]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[2-[6-[2-[(2S)-2-methyl-4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[[4-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 159056006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).