tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole

C290H312F10N52O21S5 — CID 161170706

IUPACtert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CCC(=O)N(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCN5CCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCN5CCN(C(=O)OC(C)(C)C)CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCN5CCSCC5)c4)n3)c2F)C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN5CCN(C(=O)OC(C)(C)C)CC5)c4)n3)ccc2C1.CCC(=O)/C=C/c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(CN5CCN(CCO)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(CN5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OS(C)(=O)=O)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(S(=O)(=O)CCN5CCOCC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C31H37FN6O3.C31H38N6O3.C28H32FN5O.C27H30FN5O2S.C27H29FN4O3S.C26H28FN5OS.C26H28FN5O.C25H26FN5O.C25H23FN4O.C22H21FN4O2S.C22H20FN3O3S/c1-21-18-22-8-9-26(28(32)25(22)19-21)35-27-10-11-33-29(36-27)34-23-6-5-7-24(20-23)40-17-16-37-12-14-38(15-13-37)30(39)41-31(2,3)4;1-22-18-23-8-9-26(20-24(23)19-22)33-28-10-11-32-29(35-28)34-25-6-5-7-27(21-25)39-17-16-36-12-14-37(15-13-36)30(38)40-31(2,3)4;1-20-15-25-26(31-20)6-5-23(28(25)29)18-24-7-8-30-27(32-24)17-21-3-2-4-22(16-21)19-34-11-9-33(10-12-34)13-14-35;1-19-14-24-25(30-19)7-6-22(27(24)28)17-23-8-9-29-26(31-23)16-20-4-3-5-21(15-20)18-32-10-12-33(13-11-32)36(2,34)35;1-19-15-24-25(30-19)6-5-21(27(24)28)18-22-7-8-29-26(31-22)17-20-3-2-4-23(16-20)36(33,34)14-11-32-9-12-35-13-10-32;1-18-15-19-5-6-23(25(27)22(19)16-18)30-24-7-8-28-26(31-24)29-20-3-2-4-21(17-20)33-12-9-32-10-13-34-14-11-32;1-18-15-19-7-8-23(25(27)22(19)16-18)30-24-9-10-28-26(31-24)29-20-5-4-6-21(17-20)33-14-13-32-11-2-3-12-32;1-16-13-18-8-9-21(24(26)20(18)14-16)29-22-11-12-27-25(30-22)28-19-6-4-5-17(15-19)7-10-23(32)31(2)3;1-3-20(31)9-7-17-5-4-6-19(15-17)28-25-27-12-11-23(30-25)29-22-10-8-18-13-16(2)14-21(18)24(22)26;1-14-10-16-6-7-19(21(23)18(16)11-14)26-20-8-9-24-22(27-20)25-17-5-3-4-15(12-17)13-30(2,28)29;1-14-10-19-20(25-14)7-6-16(22(19)23)13-17-8-9-24-21(26-17)12-15-4-3-5-18(11-15)29-30(2,27)28/h5-11,19-20H,12-18H2,1-4H3,(H2,33,34,35,36);5-11,19-21H,12-18H2,1-4H3,(H2,32,33,34,35);2-8,15-16,31,35H,9-14,17-19H2,1H3;3-9,14-15,30H,10-13,16-18H2,1-2H3;2-8,15-16,30H,9-14,17-18H2,1H3;2-8,16-17H,9-15H2,1H3,(H2,28,29,30,31);4-10,16-17H,2-3,11-15H2,1H3,(H2,28,29,30,31);4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H2,27,28,29,30);4-12,14-15H,3,13H2,1-2H3,(H2,27,28,29,30);3-9,11-12H,10,13H2,1-2H3,(H2,24,25,26,27);3-11,25H,12-13H2,1-2H3/b;;;;;;;;9-7+;;
InChIKeyURDHIKNYZKWPOW-WRQFTEITSA-N
MW5212.34 g/mol
LogP53.60
Rot. Bonds81

About tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole

tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole (PubChem CID 161170706) has the molecular formula C290H312F10N52O21S5 and a molecular weight of 5212.34 g/mol. Its IUPAC name is tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole.

Molecular Properties

Compound Nametert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
PubChem CID161170706
Molecular FormulaC290H312F10N52O21S5
Molecular Weight5212.34 g/mol
Exact Mass5208.34
IUPAC Nametert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CCC(=O)N(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCN5CCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCN5CCN(C(=O)OC(C)(C)C)CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCN5CCSCC5)c4)n3)c2F)C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN5CCN(C(=O)OC(C)(C)C)CC5)c4)n3)ccc2C1.CCC(=O)/C=C/c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(CN5CCN(CCO)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(CN5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OS(C)(=O)=O)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(S(=O)(=O)CCN5CCOCC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C31H37FN6O3.C31H38N6O3.C28H32FN5O.C27H30FN5O2S.C27H29FN4O3S.C26H28FN5OS.C26H28FN5O.C25H26FN5O.C25H23FN4O.C22H21FN4O2S.C22H20FN3O3S/c1-21-18-22-8-9-26(28(32)25(22)19-21)35-27-10-11-33-29(36-27)34-23-6-5-7-24(20-23)40-17-16-37-12-14-38(15-13-37)30(39)41-31(2,3)4;1-22-18-23-8-9-26(20-24(23)19-22)33-28-10-11-32-29(35-28)34-25-6-5-7-27(21-25)39-17-16-36-12-14-37(15-13-36)30(38)40-31(2,3)4;1-20-15-25-26(31-20)6-5-23(28(25)29)18-24-7-8-30-27(32-24)17-21-3-2-4-22(16-21)19-34-11-9-33(10-12-34)13-14-35;1-19-14-24-25(30-19)7-6-22(27(24)28)17-23-8-9-29-26(31-23)16-20-4-3-5-21(15-20)18-32-10-12-33(13-11-32)36(2,34)35;1-19-15-24-25(30-19)6-5-21(27(24)28)18-22-7-8-29-26(31-22)17-20-3-2-4-23(16-20)36(33,34)14-11-32-9-12-35-13-10-32;1-18-15-19-5-6-23(25(27)22(19)16-18)30-24-7-8-28-26(31-24)29-20-3-2-4-21(17-20)33-12-9-32-10-13-34-14-11-32;1-18-15-19-7-8-23(25(27)22(19)16-18)30-24-9-10-28-26(31-24)29-20-5-4-6-21(17-20)33-14-13-32-11-2-3-12-32;1-16-13-18-8-9-21(24(26)20(18)14-16)29-22-11-12-27-25(30-22)28-19-6-4-5-17(15-19)7-10-23(32)31(2)3;1-3-20(31)9-7-17-5-4-6-19(15-17)28-25-27-12-11-23(30-25)29-22-10-8-18-13-16(2)14-21(18)24(22)26;1-14-10-16-6-7-19(21(23)18(16)11-14)26-20-8-9-24-22(27-20)25-17-5-3-4-15(12-17)13-30(2,28)29;1-14-10-19-20(25-14)7-6-16(22(19)23)13-17-8-9-24-21(26-17)12-15-4-3-5-18(11-15)29-30(2,27)28/h5-11,19-20H,12-18H2,1-4H3,(H2,33,34,35,36);5-11,19-21H,12-18H2,1-4H3,(H2,32,33,34,35);2-8,15-16,31,35H,9-14,17-19H2,1H3;3-9,14-15,30H,10-13,16-18H2,1-2H3;2-8,15-16,30H,9-14,17-18H2,1H3;2-8,16-17H,9-15H2,1H3,(H2,28,29,30,31);4-10,16-17H,2-3,11-15H2,1H3,(H2,28,29,30,31);4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H2,27,28,29,30);4-12,14-15H,3,13H2,1-2H3,(H2,27,28,29,30);3-9,11-12H,10,13H2,1-2H3,(H2,24,25,26,27);3-11,25H,12-13H2,1-2H3/b;;;;;;;;9-7+;;
InChIKeyURDHIKNYZKWPOW-WRQFTEITSA-N
XLogP53.60
TPSA852.95 Ų
H-Bond Donors19
H-Bond Acceptors66
Rotatable Bonds81
Heavy Atoms378
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005212.34
LogP ≤ 553.60
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1066

Analyze tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole with MolForge

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Related Compounds

CID 157490184
CID 157490184
N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]-1-morpholin-4-ylprop-2-en-1-one;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 158182040
N-[2-[(3-chlorophenyl)methyl]pyrimidin-4-yl]-4-fluoro-2-methyl-1H-indol-5-amine;5-[2-[(3-ethylsulfonylphenyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;4-fluoro-N-[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]-2-methyl-1H-indol-5-amine;2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]methyl]benzonitrile;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
CID 157252279
(E)-N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylpropan-1-one;2-[1-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]ethanol;2-methyl-5-[2-[[3-(methylsulfonylmethyl)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
CID 157385006
2-(4-aminophenyl)-1-cyclobutyl-6-(4-morpholin-4-ylpyrimidin-2-yl)oxyindole-3-carbonitrile;tert-butyl N-[4-[3-cyano-1-cyclobutyl-6-(1-hydroxythiomorpholin-1-ium-4-yl)indol-2-yl]phenyl]carbamate;3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-5-carboxamide;3-cyano-1-cyclobutyl-N-ethyl-N-methyl-2-[4-(propylsulfonylamino)phenyl]indole-5-carboxamide;N-[4-[3-cyano-1-cyclobutyl-5-(morpholine-4-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxy-2-[4-(sulfamoylamino)phenyl]indole;N-[4-[3-cyano-1-cyclobutyl-5-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclobutyl-6-(4-morpholin-4-ylpyrimidin-2-yl)oxyindol-2-yl]phenyl]carbamate
CID 157694153
CID 157813314
CID 157813314
2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[(1-methylsulfonylpiperidin-4-yl)methoxy]phenyl]pyrimidin-2-amine;1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-ol;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-(3-piperidin-3-yloxyphenyl)pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;4-fluoro-2-methyl-5-[[2-[[3-(3-methylsulfonylpropoxy)phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 158008900
CID 158162317
CID 158162317
2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide;N-[2,4-difluoro-3-[2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]ethanesulfonamide;N-[2,4-difluoro-3-[2-[2-(1-methylindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;N-[3-[2-[2-[3-(2-ethoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 158430781
N-[4-[1-(dimethylamino)ethenyl]-2-methylphenyl]-4-(oxan-4-yloxy)-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3S)-oxan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(3-methylsulfonylphenyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 158544169
tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
CID 158611228
CID 158756616
CID 158756616

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole?
The IUPAC name of tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole (CID 161170706) is tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole.
What is the SMILES notation for tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole?
The canonical SMILES for tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole is CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CCC(=O)N(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCN5CCCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCN5CCN(C(=O)OC(C)(C)C)CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCN5CCSCC5)c4)n3)c2F)C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN5CCN(C(=O)OC(C)(C)C)CC5)c4)n3)ccc2C1.CCC(=O)/C=C/c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(CN5CCN(CCO)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(CN5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OS(C)(=O)=O)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(S(=O)(=O)CCN5CCOCC5)c4)n3)ccc2[nH]1.
What is the InChIKey of tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole?
The InChIKey is URDHIKNYZKWPOW-WRQFTEITSA-N. The full InChI is InChI=1S/C31H37FN6O3.C31H38N6O3.C28H32FN5O.C27H30FN5O2S.C27H29FN4O3S.C26H28FN5OS.C26H28FN5O.C25H26FN5O.C25H23FN4O.C22H21FN4O2S.C22H20FN3O3S/c1-21-18-22-8-9-26(28(32)25(22)19-21)35-27-10-11-33-29(36-27)34-23-6-5-7-24(20-23)40-17-16-37-12-14-38(15-13-37)30(39)41-31(2,3)4;1-22-18-23-8-9-26(20-24(23)19-22)33-28-10-11-32-29(35-28)34-25-6-5-7-27(21-25)39-17-16-36-12-14-37(15-13-36)30(38)40-31(2,3)4;1-20-15-25-26(31-20)6-5-23(28(25)29)18-24-7-8-30-27(32-24)17-21-3-2-4-22(16-21)19-34-11-9-33(10-12-34)13-14-35;1-19-14-24-25(30-19)7-6-22(27(24)28)17-23-8-9-29-26(31-23)16-20-4-3-5-21(15-20)18-32-10-12-33(13-11-32)36(2,34)35;1-19-15-24-25(30-19)6-5-21(27(24)28)18-22-7-8-29-26(31-22)17-20-3-2-4-23(16-20)36(33,34)14-11-32-9-12-35-13-10-32;1-18-15-19-5-6-23(25(27)22(19)16-18)30-24-7-8-28-26(31-24)29-20-3-2-4-21(17-20)33-12-9-32-10-13-34-14-11-32;1-18-15-19-7-8-23(25(27)22(19)16-18)30-24-9-10-28-26(31-24)29-20-5-4-6-21(17-20)33-14-13-32-11-2-3-12-32;1-16-13-18-8-9-21(24(26)20(18)14-16)29-22-11-12-27-25(30-22)28-19-6-4-5-17(15-19)7-10-23(32)31(2)3;1-3-20(31)9-7-17-5-4-6-19(15-17)28-25-27-12-11-23(30-25)29-22-10-8-18-13-16(2)14-21(18)24(22)26;1-14-10-16-6-7-19(21(23)18(16)11-14)26-20-8-9-24-22(27-20)25-17-5-3-4-15(12-17)13-30(2,28)29;1-14-10-19-20(25-14)7-6-16(22(19)23)13-17-8-9-24-21(26-17)12-15-4-3-5-18(11-15)29-30(2,27)28/h5-11,19-20H,12-18H2,1-4H3,(H2,33,34,35,36);5-11,19-21H,12-18H2,1-4H3,(H2,32,33,34,35);2-8,15-16,31,35H,9-14,17-19H2,1H3;3-9,14-15,30H,10-13,16-18H2,1-2H3;2-8,15-16,30H,9-14,17-18H2,1H3;2-8,16-17H,9-15H2,1H3,(H2,28,29,30,31);4-10,16-17H,2-3,11-15H2,1H3,(H2,28,29,30,31);4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H2,27,28,29,30);4-12,14-15H,3,13H2,1-2H3,(H2,27,28,29,30);3-9,11-12H,10,13H2,1-2H3,(H2,24,25,26,27);3-11,25H,12-13H2,1-2H3/b;;;;;;;;9-7+;;.
What are the key properties of tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole?
tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole has a molecular weight of 5212.34 g/mol, XLogP of 53.60, 81 rotatable bonds, 19 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-thiomorpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl] methanesulfonate;2-[4-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylethyl]morpholine;4-fluoro-2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole is sourced from PubChem (CID 161170706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).