acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol

C253H359BrN44O59S — CID 158077920

IUPACacetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol
SMILESBrCc1ccccc1.C1CCOC1.CC(=O)O.CO.COC1CCN(c2nccc(Cc3cc(NC(C)C)c(N)cn3)n2)CC1.COC1CCN(c2nccc(Cc3cc(NC(C)C)c(NC(=O)COCCOCCOCCOCc4ccccc4)cn3)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCO)n4C(C)C)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCOCc3ccccc3)n4C(C)C)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCOc3ccc5c(c3)C(=O)N(C(CCC(=O)OC(C)(C)C)C(N)=O)C5=O)n4C(C)C)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCOc3ccc5c(c3)C(=O)N(C3CCC(=O)NC3=O)C5=O)n4C(C)C)n2)CC1.Cc1ccc(S(=O)(=O)O)cc1.O=C(O)COCCOCCOCCOCc1ccccc1.OCCOCCOCCOCCO.OCCOCCOCCOCCOCc1ccccc1
InChIInChI=1S/C43H57N9O10.C39H47N9O9.C34H48N6O6.C33H45N7O5.C26H39N7O5.C19H28N6O.C15H22O6.C15H24O5.C8H18O5.C7H7Br.C7H8O3S.C4H8O.C2H4O2.CH4O/c1-27(2)51-34-24-36(48-35-11-14-45-42(49-35)50-15-12-28(57-6)13-16-50)46-25-32(34)47-37(51)26-60-20-19-58-17-18-59-21-22-61-29-7-8-30-31(23-29)41(56)52(40(30)55)33(39(44)54)9-10-38(53)62-43(3,4)5;1-24(2)47-31-21-33(43-32-8-11-40-39(44-32)46-12-9-25(53-3)10-13-46)41-22-29(31)42-34(47)23-56-17-16-54-14-15-55-18-19-57-26-4-5-27-28(20-26)38(52)48(37(27)51)30-6-7-35(49)45-36(30)50;1-26(2)37-31-22-29(21-28-9-12-35-34(38-28)40-13-10-30(42-3)11-14-40)36-23-32(31)39-33(41)25-46-20-18-44-16-15-43-17-19-45-24-27-7-5-4-6-8-27;1-25(2)40-29-21-31(37-30-9-12-34-33(38-30)39-13-10-27(41-3)11-14-39)35-22-28(29)36-32(40)24-45-20-18-43-16-15-42-17-19-44-23-26-7-5-4-6-8-26;1-19(2)33-22-16-24(30-23-4-7-27-26(31-23)32-8-5-20(35-3)6-9-32)28-17-21(22)29-25(33)18-38-15-14-37-13-12-36-11-10-34;1-13(2)23-18-11-15(22-12-17(18)20)10-14-4-7-21-19(24-14)25-8-5-16(26-3)6-9-25;16-15(17)13-21-11-9-19-7-6-18-8-10-20-12-14-4-2-1-3-5-14;16-6-7-17-8-9-18-10-11-19-12-13-20-14-15-4-2-1-3-5-15;9-1-3-11-5-7-13-8-6-12-4-2-10;8-6-7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-5-3-1;1-2(3)4;1-2/h7-8,11,14,23-25,27-28,33H,9-10,12-13,15-22,26H2,1-6H3,(H2,44,54)(H,45,46,48,49);4-5,8,11,20-22,24-25,30H,6-7,9-10,12-19,23H2,1-3H3,(H,45,49,50)(H,40,41,43,44);4-9,12,22-23,26,30H,10-11,13-21,24-25H2,1-3H3,(H,36,37)(H,39,41);4-9,12,21-22,25,27H,10-11,13-20,23-24H2,1-3H3,(H,34,35,37,38);4,7,16-17,19-20,34H,5-6,8-15,18H2,1-3H3,(H,27,28,30,31);4,7,11-13,16H,5-6,8-10,20H2,1-3H3,(H,22,23);1-5H,6-13H2,(H,16,17);1-5,16H,6-14H2;9-10H,1-8H2;1-5H,6H2;2-5H,1H3,(H,8,9,10);1-4H2;1H3,(H,3,4);2H,1H3
InChIKeyUYAWDVFUJORJNQ-UHFFFAOYSA-N
MW5072.88 g/mol
LogP27.69
Rot. Bonds137

About acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol

acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 158077920) has the molecular formula C253H359BrN44O59S and a molecular weight of 5072.88 g/mol. Its IUPAC name is acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Nameacetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol
PubChem CID158077920
Molecular FormulaC253H359BrN44O59S
Molecular Weight5072.88 g/mol
Exact Mass5068.53
IUPAC Nameacetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol
SMILESBrCc1ccccc1.C1CCOC1.CC(=O)O.CO.COC1CCN(c2nccc(Cc3cc(NC(C)C)c(N)cn3)n2)CC1.COC1CCN(c2nccc(Cc3cc(NC(C)C)c(NC(=O)COCCOCCOCCOCc4ccccc4)cn3)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCO)n4C(C)C)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCOCc3ccccc3)n4C(C)C)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCOc3ccc5c(c3)C(=O)N(C(CCC(=O)OC(C)(C)C)C(N)=O)C5=O)n4C(C)C)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCOc3ccc5c(c3)C(=O)N(C3CCC(=O)NC3=O)C5=O)n4C(C)C)n2)CC1.Cc1ccc(S(=O)(=O)O)cc1.O=C(O)COCCOCCOCCOCc1ccccc1.OCCOCCOCCOCCO.OCCOCCOCCOCCOCc1ccccc1
InChIInChI=1S/C43H57N9O10.C39H47N9O9.C34H48N6O6.C33H45N7O5.C26H39N7O5.C19H28N6O.C15H22O6.C15H24O5.C8H18O5.C7H7Br.C7H8O3S.C4H8O.C2H4O2.CH4O/c1-27(2)51-34-24-36(48-35-11-14-45-42(49-35)50-15-12-28(57-6)13-16-50)46-25-32(34)47-37(51)26-60-20-19-58-17-18-59-21-22-61-29-7-8-30-31(23-29)41(56)52(40(30)55)33(39(44)54)9-10-38(53)62-43(3,4)5;1-24(2)47-31-21-33(43-32-8-11-40-39(44-32)46-12-9-25(53-3)10-13-46)41-22-29(31)42-34(47)23-56-17-16-54-14-15-55-18-19-57-26-4-5-27-28(20-26)38(52)48(37(27)51)30-6-7-35(49)45-36(30)50;1-26(2)37-31-22-29(21-28-9-12-35-34(38-28)40-13-10-30(42-3)11-14-40)36-23-32(31)39-33(41)25-46-20-18-44-16-15-43-17-19-45-24-27-7-5-4-6-8-27;1-25(2)40-29-21-31(37-30-9-12-34-33(38-30)39-13-10-27(41-3)11-14-39)35-22-28(29)36-32(40)24-45-20-18-43-16-15-42-17-19-44-23-26-7-5-4-6-8-26;1-19(2)33-22-16-24(30-23-4-7-27-26(31-23)32-8-5-20(35-3)6-9-32)28-17-21(22)29-25(33)18-38-15-14-37-13-12-36-11-10-34;1-13(2)23-18-11-15(22-12-17(18)20)10-14-4-7-21-19(24-14)25-8-5-16(26-3)6-9-25;16-15(17)13-21-11-9-19-7-6-18-8-10-20-12-14-4-2-1-3-5-14;16-6-7-17-8-9-18-10-11-19-12-13-20-14-15-4-2-1-3-5-15;9-1-3-11-5-7-13-8-6-12-4-2-10;8-6-7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-5-3-1;1-2(3)4;1-2/h7-8,11,14,23-25,27-28,33H,9-10,12-13,15-22,26H2,1-6H3,(H2,44,54)(H,45,46,48,49);4-5,8,11,20-22,24-25,30H,6-7,9-10,12-19,23H2,1-3H3,(H,45,49,50)(H,40,41,43,44);4-9,12,22-23,26,30H,10-11,13-21,24-25H2,1-3H3,(H,36,37)(H,39,41);4-9,12,21-22,25,27H,10-11,13-20,23-24H2,1-3H3,(H,34,35,37,38);4,7,16-17,19-20,34H,5-6,8-15,18H2,1-3H3,(H,27,28,30,31);4,7,11-13,16H,5-6,8-10,20H2,1-3H3,(H,22,23);1-5H,6-13H2,(H,16,17);1-5,16H,6-14H2;9-10H,1-8H2;1-5H,6H2;2-5H,1H3,(H,8,9,10);1-4H2;1H3,(H,3,4);2H,1H3
InChIKeyUYAWDVFUJORJNQ-UHFFFAOYSA-N
XLogP27.69
TPSA1211.99 Ų
H-Bond Donors18
H-Bond Acceptors95
Rotatable Bonds137
Heavy Atoms358
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005072.88
LogP ≤ 527.69
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1095

Analyze acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol with MolForge

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What is the IUPAC name of acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol (CID 158077920) is acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol is BrCc1ccccc1.C1CCOC1.CC(=O)O.CO.COC1CCN(c2nccc(Cc3cc(NC(C)C)c(N)cn3)n2)CC1.COC1CCN(c2nccc(Cc3cc(NC(C)C)c(NC(=O)COCCOCCOCCOCc4ccccc4)cn3)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCO)n4C(C)C)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCOCc3ccccc3)n4C(C)C)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCOc3ccc5c(c3)C(=O)N(C(CCC(=O)OC(C)(C)C)C(N)=O)C5=O)n4C(C)C)n2)CC1.COC1CCN(c2nccc(Nc3cc4c(cn3)nc(COCCOCCOCCOc3ccc5c(c3)C(=O)N(C3CCC(=O)NC3=O)C5=O)n4C(C)C)n2)CC1.Cc1ccc(S(=O)(=O)O)cc1.O=C(O)COCCOCCOCCOCc1ccccc1.OCCOCCOCCOCCO.OCCOCCOCCOCCOCc1ccccc1.
What is the InChIKey of acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol?
The InChIKey is UYAWDVFUJORJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H57N9O10.C39H47N9O9.C34H48N6O6.C33H45N7O5.C26H39N7O5.C19H28N6O.C15H22O6.C15H24O5.C8H18O5.C7H7Br.C7H8O3S.C4H8O.C2H4O2.CH4O/c1-27(2)51-34-24-36(48-35-11-14-45-42(49-35)50-15-12-28(57-6)13-16-50)46-25-32(34)47-37(51)26-60-20-19-58-17-18-59-21-22-61-29-7-8-30-31(23-29)41(56)52(40(30)55)33(39(44)54)9-10-38(53)62-43(3,4)5;1-24(2)47-31-21-33(43-32-8-11-40-39(44-32)46-12-9-25(53-3)10-13-46)41-22-29(31)42-34(47)23-56-17-16-54-14-15-55-18-19-57-26-4-5-27-28(20-26)38(52)48(37(27)51)30-6-7-35(49)45-36(30)50;1-26(2)37-31-22-29(21-28-9-12-35-34(38-28)40-13-10-30(42-3)11-14-40)36-23-32(31)39-33(41)25-46-20-18-44-16-15-43-17-19-45-24-27-7-5-4-6-8-27;1-25(2)40-29-21-31(37-30-9-12-34-33(38-30)39-13-10-27(41-3)11-14-39)35-22-28(29)36-32(40)24-45-20-18-43-16-15-42-17-19-44-23-26-7-5-4-6-8-26;1-19(2)33-22-16-24(30-23-4-7-27-26(31-23)32-8-5-20(35-3)6-9-32)28-17-21(22)29-25(33)18-38-15-14-37-13-12-36-11-10-34;1-13(2)23-18-11-15(22-12-17(18)20)10-14-4-7-21-19(24-14)25-8-5-16(26-3)6-9-25;16-15(17)13-21-11-9-19-7-6-18-8-10-20-12-14-4-2-1-3-5-14;16-6-7-17-8-9-18-10-11-19-12-13-20-14-15-4-2-1-3-5-15;9-1-3-11-5-7-13-8-6-12-4-2-10;8-6-7-4-2-1-3-5-7;1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-5-3-1;1-2(3)4;1-2/h7-8,11,14,23-25,27-28,33H,9-10,12-13,15-22,26H2,1-6H3,(H2,44,54)(H,45,46,48,49);4-5,8,11,20-22,24-25,30H,6-7,9-10,12-19,23H2,1-3H3,(H,45,49,50)(H,40,41,43,44);4-9,12,22-23,26,30H,10-11,13-21,24-25H2,1-3H3,(H,36,37)(H,39,41);4-9,12,21-22,25,27H,10-11,13-20,23-24H2,1-3H3,(H,34,35,37,38);4,7,16-17,19-20,34H,5-6,8-15,18H2,1-3H3,(H,27,28,30,31);4,7,11-13,16H,5-6,8-10,20H2,1-3H3,(H,22,23);1-5H,6-13H2,(H,16,17);1-5,16H,6-14H2;9-10H,1-8H2;1-5H,6H2;2-5H,1H3,(H,8,9,10);1-4H2;1H3,(H,3,4);2H,1H3.
What are the key properties of acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol?
acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 5072.88 g/mol, XLogP of 27.69, 137 rotatable bonds, 18 hydrogen bond donors, and 95 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bromomethylbenzene;tert-butyl 5-amino-4-[5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,3-dioxoisoindol-2-yl]-5-oxopentanoate;2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methanol;2-[2-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylimidazo[4,5-c]pyridin-2-yl]methoxy]ethoxy]ethoxy]ethanol;N-[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-(propan-2-ylamino)-3-pyridinyl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetamide;6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]methyl]-4-N-propan-2-ylpyridine-3,4-diamine;N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxymethyl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;4-methylbenzenesulfonic acid;oxolane;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 158077920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).