5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

C316H311F18N57O31 — CID 167533017

IUPAC5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(OCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c9cnccc9n(CC(F)(F)F)c8c7)cn6)CC5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCOCCOCCN4CCN(CCOc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(NCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(NCC(F)(F)COc4ccc(N5CCN(CCOc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c9cnccc9n(CC(F)(F)F)c8c7)cn6)CC5)nc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C47H43F5N8O5.C47H45F5N8O4.C46H46F2N8O4.C45H45F2N9O3.C45H44F2N8O4.C44H43F2N9O4.C42H45N7O7/c1-29-4-12-40(43(61)56-29)60-44(62)36-11-8-33(22-37(36)45(60)63)64-27-46(48,49)28-65-34-9-13-42(55-24-34)58-19-17-57(18-20-58)16-2-3-32-7-5-31(23-54-32)30-6-10-35-38-25-53-15-14-39(38)59(41(35)21-30)26-47(50,51)52;1-30-4-12-41(44(61)56-30)59-26-33-21-35(8-11-37(33)45(59)62)63-28-46(48,49)29-64-36-9-13-43(55-24-36)58-19-17-57(18-20-58)16-2-3-34-7-5-32(23-54-34)31-6-10-38-39-25-53-15-14-40(39)60(42(38)22-31)27-47(50,51)52;1-30-5-13-41(44(57)52-30)56-27-33-22-35(9-12-37(33)45(56)58)59-28-46(47,48)29-60-36-10-14-43(51-25-36)55-20-18-54(19-21-55)17-3-4-34-8-6-32(24-50-34)31-7-11-38-39-26-49-16-15-40(39)53(2)42(38)23-31;1-29-4-12-41(43(57)52-29)56-26-32-21-34(8-11-36(32)44(56)58)51-27-45(46,47)28-59-35-9-13-42(50-24-35)55-19-17-54(18-20-55)16-2-3-33-7-5-31(23-49-33)30-6-10-37-38-25-48-15-14-39(38)53-40(37)22-30;1-29-4-12-41(43(56)51-29)55-26-32-21-34(8-11-36(32)44(55)57)58-27-45(46,47)28-59-35-9-13-42(50-24-35)54-19-17-53(18-20-54)16-2-3-33-7-5-31(23-49-33)30-6-10-37-38-25-48-15-14-39(38)52-40(37)22-30;1-28-2-9-39(42(56)51-28)55-25-31-20-32(5-8-34(31)43(55)57)50-26-44(45,46)27-59-33-6-10-40(48-23-33)54-16-14-53(15-17-54)18-19-58-41-11-4-30(22-49-41)29-3-7-35-36-24-47-13-12-37(36)52-38(35)21-29;1-28-5-9-36(40(50)45-28)49-41(51)32-3-2-4-37(39(32)42(49)52)55-24-23-54-22-21-53-19-17-47-13-15-48(16-14-47)18-20-56-38-10-7-30(26-44-38)29-6-8-31-33-27-43-12-11-34(33)46-35(31)25-29/h5-11,13-15,21-25,40H,1-4,12,16-20,26-28H2,(H,56,61);5-11,13-15,21-25,41H,1-4,12,16-20,26-29H2,(H,56,61);6-12,14-16,22-26,41H,1,3-5,13,17-21,27-29H2,2H3,(H,52,57);5-11,13-15,21-25,41,51,53H,1-4,12,16-20,26-28H2,(H,52,57);5-11,13-15,21-25,41,52H,1-4,12,16-20,26-28H2,(H,51,56);3-8,10-13,20-24,39,50,52H,1-2,9,14-19,25-27H2,(H,51,56);2-4,6-8,10-12,25-27,36,46H,1,5,9,13-24H2,(H,45,50)
InChIKeyAFMFOWRQZKVKEE-UHFFFAOYSA-N
MW5745.30 g/mol
LogP46.12
Rot. Bonds96

About 5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 167533017) has the molecular formula C316H311F18N57O31 and a molecular weight of 5745.30 g/mol. Its IUPAC name is 5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
PubChem CID167533017
Molecular FormulaC316H311F18N57O31
Molecular Weight5745.30 g/mol
Exact Mass5741.42
IUPAC Name5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3ccc(OCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c9cnccc9n(CC(F)(F)F)c8c7)cn6)CC5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCOCCOCCN4CCN(CCOc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(NCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(NCC(F)(F)COc4ccc(N5CCN(CCOc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c9cnccc9n(CC(F)(F)F)c8c7)cn6)CC5)nc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C47H43F5N8O5.C47H45F5N8O4.C46H46F2N8O4.C45H45F2N9O3.C45H44F2N8O4.C44H43F2N9O4.C42H45N7O7/c1-29-4-12-40(43(61)56-29)60-44(62)36-11-8-33(22-37(36)45(60)63)64-27-46(48,49)28-65-34-9-13-42(55-24-34)58-19-17-57(18-20-58)16-2-3-32-7-5-31(23-54-32)30-6-10-35-38-25-53-15-14-39(38)59(41(35)21-30)26-47(50,51)52;1-30-4-12-41(44(61)56-30)59-26-33-21-35(8-11-37(33)45(59)62)63-28-46(48,49)29-64-36-9-13-43(55-24-36)58-19-17-57(18-20-58)16-2-3-34-7-5-32(23-54-34)31-6-10-38-39-25-53-15-14-40(39)60(42(38)22-31)27-47(50,51)52;1-30-5-13-41(44(57)52-30)56-27-33-22-35(9-12-37(33)45(56)58)59-28-46(47,48)29-60-36-10-14-43(51-25-36)55-20-18-54(19-21-55)17-3-4-34-8-6-32(24-50-34)31-7-11-38-39-26-49-16-15-40(39)53(2)42(38)23-31;1-29-4-12-41(43(57)52-29)56-26-32-21-34(8-11-36(32)44(56)58)51-27-45(46,47)28-59-35-9-13-42(50-24-35)55-19-17-54(18-20-55)16-2-3-33-7-5-31(23-49-33)30-6-10-37-38-25-48-15-14-39(38)53-40(37)22-30;1-29-4-12-41(43(56)51-29)55-26-32-21-34(8-11-36(32)44(55)57)58-27-45(46,47)28-59-35-9-13-42(50-24-35)54-19-17-53(18-20-54)16-2-3-33-7-5-31(23-49-33)30-6-10-37-38-25-48-15-14-39(38)52-40(37)22-30;1-28-2-9-39(42(56)51-28)55-25-31-20-32(5-8-34(31)43(55)57)50-26-44(45,46)27-59-33-6-10-40(48-23-33)54-16-14-53(15-17-54)18-19-58-41-11-4-30(22-49-41)29-3-7-35-36-24-47-13-12-37(36)52-38(35)21-29;1-28-5-9-36(40(50)45-28)49-41(51)32-3-2-4-37(39(32)42(49)52)55-24-23-54-22-21-53-19-17-47-13-15-48(16-14-47)18-20-56-38-10-7-30(26-44-38)29-6-8-31-33-27-43-12-11-34(33)46-35(31)25-29/h5-11,13-15,21-25,40H,1-4,12,16-20,26-28H2,(H,56,61);5-11,13-15,21-25,41H,1-4,12,16-20,26-29H2,(H,56,61);6-12,14-16,22-26,41H,1,3-5,13,17-21,27-29H2,2H3,(H,52,57);5-11,13-15,21-25,41,51,53H,1-4,12,16-20,26-28H2,(H,52,57);5-11,13-15,21-25,41,52H,1-4,12,16-20,26-28H2,(H,51,56);3-8,10-13,20-24,39,50,52H,1-2,9,14-19,25-27H2,(H,51,56);2-4,6-8,10-12,25-27,36,46H,1,5,9,13-24H2,(H,45,50)
InChIKeyAFMFOWRQZKVKEE-UHFFFAOYSA-N
XLogP46.12
TPSA923.63 Ų
H-Bond Donors13
H-Bond Acceptors70
Rotatable Bonds96
Heavy Atoms422
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005745.30
LogP ≤ 546.12
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1070

Analyze 5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The IUPAC name of 5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 167533017) is 5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The canonical SMILES for 5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3ccc(OCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c9cnccc9n(CC(F)(F)F)c8c7)cn6)CC5)nc4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCCOCCOCCN4CCN(CCOc5ccc(-c6ccc7c(c6)[nH]c6ccncc67)cn5)CC4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(NCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(NCC(F)(F)COc4ccc(N5CCN(CCOc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c(c7)[nH]c7ccncc78)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c9cnccc9n(C)c8c7)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(OCC(F)(F)COc4ccc(N5CCN(CCCc6ccc(-c7ccc8c9cnccc9n(CC(F)(F)F)c8c7)cn6)CC5)nc4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
The InChIKey is AFMFOWRQZKVKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43F5N8O5.C47H45F5N8O4.C46H46F2N8O4.C45H45F2N9O3.C45H44F2N8O4.C44H43F2N9O4.C42H45N7O7/c1-29-4-12-40(43(61)56-29)60-44(62)36-11-8-33(22-37(36)45(60)63)64-27-46(48,49)28-65-34-9-13-42(55-24-34)58-19-17-57(18-20-58)16-2-3-32-7-5-31(23-54-32)30-6-10-35-38-25-53-15-14-39(38)59(41(35)21-30)26-47(50,51)52;1-30-4-12-41(44(61)56-30)59-26-33-21-35(8-11-37(33)45(59)62)63-28-46(48,49)29-64-36-9-13-43(55-24-36)58-19-17-57(18-20-58)16-2-3-34-7-5-32(23-54-34)31-6-10-38-39-25-53-15-14-40(39)60(42(38)22-31)27-47(50,51)52;1-30-5-13-41(44(57)52-30)56-27-33-22-35(9-12-37(33)45(56)58)59-28-46(47,48)29-60-36-10-14-43(51-25-36)55-20-18-54(19-21-55)17-3-4-34-8-6-32(24-50-34)31-7-11-38-39-26-49-16-15-40(39)53(2)42(38)23-31;1-29-4-12-41(43(57)52-29)56-26-32-21-34(8-11-36(32)44(56)58)51-27-45(46,47)28-59-35-9-13-42(50-24-35)55-19-17-54(18-20-55)16-2-3-33-7-5-31(23-49-33)30-6-10-37-38-25-48-15-14-39(38)53-40(37)22-30;1-29-4-12-41(43(56)51-29)55-26-32-21-34(8-11-36(32)44(55)57)58-27-45(46,47)28-59-35-9-13-42(50-24-35)54-19-17-53(18-20-54)16-2-3-33-7-5-31(23-49-33)30-6-10-37-38-25-48-15-14-39(38)52-40(37)22-30;1-28-2-9-39(42(56)51-28)55-25-31-20-32(5-8-34(31)43(55)57)50-26-44(45,46)27-59-33-6-10-40(48-23-33)54-16-14-53(15-17-54)18-19-58-41-11-4-30(22-49-41)29-3-7-35-36-24-47-13-12-37(36)52-38(35)21-29;1-28-5-9-36(40(50)45-28)49-41(51)32-3-2-4-37(39(32)42(49)52)55-24-23-54-22-21-53-19-17-47-13-15-48(16-14-47)18-20-56-38-10-7-30(26-44-38)29-6-8-31-33-27-43-12-11-34(33)46-35(31)25-29/h5-11,13-15,21-25,40H,1-4,12,16-20,26-28H2,(H,56,61);5-11,13-15,21-25,41H,1-4,12,16-20,26-29H2,(H,56,61);6-12,14-16,22-26,41H,1,3-5,13,17-21,27-29H2,2H3,(H,52,57);5-11,13-15,21-25,41,51,53H,1-4,12,16-20,26-28H2,(H,52,57);5-11,13-15,21-25,41,52H,1-4,12,16-20,26-28H2,(H,51,56);3-8,10-13,20-24,39,50,52H,1-2,9,14-19,25-27H2,(H,51,56);2-4,6-8,10-12,25-27,36,46H,1,5,9,13-24H2,(H,45,50).
What are the key properties of 5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?
5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 5745.30 g/mol, XLogP of 46.12, 96 rotatable bonds, 13 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-difluoro-3-[[6-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[[2,2-difluoro-3-[[6-[4-[3-[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propyl]amino]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;5-[2,2-difluoro-3-[[6-[4-[3-[5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-2-pyridinyl]propyl]piperazin-1-yl]-3-pyridinyl]oxy]propoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[2-[2-[2-[4-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 167533017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).