N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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

C274H281F11N48O17S2 — CID 159367313

IUPACN-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CC(=O)NC5CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(NS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCC5CCNCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCN(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4ccccc4OCCN4CCOCC4)n3)c2F)C1.CCC(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(/C=C/C(=O)N5CCOCC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(CN5CCC(CO)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OCCN(C)C)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4ccccc4OCCO)n3)ccc2[nH]1
InChIInChI=1S/C28H27FN4O2.C28H31FN4O.C26H28FN5O2.C26H28FN5O.C25H24FN5O.C25H28FN5O.C25H27FN4O.C24H25FN4O3S.C23H21FN4O.C23H22FN3O2.C21H20FN5O2S/c1-19-15-24-25(31-19)7-6-22(28(24)29)18-23-9-10-30-26(32-23)17-21-4-2-3-20(16-21)5-8-27(34)33-11-13-35-14-12-33;1-19-13-25-26(31-19)6-5-23(28(25)29)16-24-7-10-30-27(32-24)15-21-3-2-4-22(14-21)17-33-11-8-20(18-34)9-12-33;1-18-16-19-6-7-22(25(27)20(19)17-18)29-24-8-9-28-26(31-24)30-21-4-2-3-5-23(21)34-15-12-32-10-13-33-14-11-32;1-17-13-19-5-6-23(25(27)22(19)14-17)31-24-9-12-29-26(32-24)30-20-3-2-4-21(15-20)33-16-18-7-10-28-11-8-18;1-15-11-17-5-8-21(24(26)20(17)12-15)30-22-9-10-27-25(31-22)29-19-4-2-3-16(13-19)14-23(32)28-18-6-7-18;1-17-14-18-8-9-22(24(26)21(18)15-17)29-23-10-11-27-25(30-23)28-19-6-4-7-20(16-19)32-13-5-12-31(2)3;1-17-13-22-23(28-17)8-7-19(25(22)26)16-20-9-10-27-24(29-20)15-18-5-4-6-21(14-18)31-12-11-30(2)3;1-16-13-17-7-8-21(23(25)20(17)14-16)28-22-9-10-26-24(29-22)27-18-5-3-6-19(15-18)32-11-4-12-33(2,30)31;1-3-20(29)16-5-4-6-17(13-16)26-23-25-10-9-21(28-23)27-19-8-7-15-11-14(2)12-18(15)22(19)24;1-15-12-19-20(26-15)7-6-17(23(19)24)13-18-8-9-25-22(27-18)14-16-4-2-3-5-21(16)29-11-10-28;1-13-10-14-6-7-18(20(22)17(14)11-13)25-19-8-9-23-21(26-19)24-15-4-3-5-16(12-15)27-30(2,28)29/h2-10,15-16,31H,11-14,17-18H2,1H3;2-7,10,13-14,20,31,34H,8-9,11-12,15-18H2,1H3;2-9,17H,10-16H2,1H3,(H2,28,29,30,31);2-6,9,12,14-15,18,28H,7-8,10-11,13,16H2,1H3,(H2,29,30,31,32);2-5,8-10,12-13,18H,6-7,11,14H2,1H3,(H,28,32)(H2,27,29,30,31);4,6-11,15-16H,5,12-14H2,1-3H3,(H2,27,28,29,30);4-10,13-14,28H,11-12,15-16H2,1-3H3;3,5-10,14-15H,4,11-13H2,1-2H3,(H2,26,27,28,29);4-10,12-13H,3,11H2,1-2H3,(H2,25,26,27,28);2-9,12,26,28H,10-11,13-14H2,1H3;3-9,11-12,27H,10H2,1-2H3,(H2,23,24,25,26)/b8-5+;;;;;;;;;;
InChIKeyLJHISILVSXFRNS-QEYZYTMHSA-N
MW4791.69 g/mol
LogP53.19
Rot. Bonds80

About N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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

N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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 (PubChem CID 159367313) has the molecular formula C274H281F11N48O17S2 and a molecular weight of 4791.69 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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
PubChem CID159367313
Molecular FormulaC274H281F11N48O17S2
Molecular Weight4791.69 g/mol
Exact Mass4788.19
IUPAC NameN-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CC(=O)NC5CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(NS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCC5CCNCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCN(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4ccccc4OCCN4CCOCC4)n3)c2F)C1.CCC(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(/C=C/C(=O)N5CCOCC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(CN5CCC(CO)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OCCN(C)C)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4ccccc4OCCO)n3)ccc2[nH]1
InChIInChI=1S/C28H27FN4O2.C28H31FN4O.C26H28FN5O2.C26H28FN5O.C25H24FN5O.C25H28FN5O.C25H27FN4O.C24H25FN4O3S.C23H21FN4O.C23H22FN3O2.C21H20FN5O2S/c1-19-15-24-25(31-19)7-6-22(28(24)29)18-23-9-10-30-26(32-23)17-21-4-2-3-20(16-21)5-8-27(34)33-11-13-35-14-12-33;1-19-13-25-26(31-19)6-5-23(28(25)29)16-24-7-10-30-27(32-24)15-21-3-2-4-22(14-21)17-33-11-8-20(18-34)9-12-33;1-18-16-19-6-7-22(25(27)20(19)17-18)29-24-8-9-28-26(31-24)30-21-4-2-3-5-23(21)34-15-12-32-10-13-33-14-11-32;1-17-13-19-5-6-23(25(27)22(19)14-17)31-24-9-12-29-26(32-24)30-20-3-2-4-21(15-20)33-16-18-7-10-28-11-8-18;1-15-11-17-5-8-21(24(26)20(17)12-15)30-22-9-10-27-25(31-22)29-19-4-2-3-16(13-19)14-23(32)28-18-6-7-18;1-17-14-18-8-9-22(24(26)21(18)15-17)29-23-10-11-27-25(30-23)28-19-6-4-7-20(16-19)32-13-5-12-31(2)3;1-17-13-22-23(28-17)8-7-19(25(22)26)16-20-9-10-27-24(29-20)15-18-5-4-6-21(14-18)31-12-11-30(2)3;1-16-13-17-7-8-21(23(25)20(17)14-16)28-22-9-10-26-24(29-22)27-18-5-3-6-19(15-18)32-11-4-12-33(2,30)31;1-3-20(29)16-5-4-6-17(13-16)26-23-25-10-9-21(28-23)27-19-8-7-15-11-14(2)12-18(15)22(19)24;1-15-12-19-20(26-15)7-6-17(23(19)24)13-18-8-9-25-22(27-18)14-16-4-2-3-5-21(16)29-11-10-28;1-13-10-14-6-7-18(20(22)17(14)11-13)25-19-8-9-23-21(26-19)24-15-4-3-5-16(12-15)27-30(2,28)29/h2-10,15-16,31H,11-14,17-18H2,1H3;2-7,10,13-14,20,31,34H,8-9,11-12,15-18H2,1H3;2-9,17H,10-16H2,1H3,(H2,28,29,30,31);2-6,9,12,14-15,18,28H,7-8,10-11,13,16H2,1H3,(H2,29,30,31,32);2-5,8-10,12-13,18H,6-7,11,14H2,1H3,(H,28,32)(H2,27,29,30,31);4,6-11,15-16H,5,12-14H2,1-3H3,(H2,27,28,29,30);4-10,13-14,28H,11-12,15-16H2,1-3H3;3,5-10,14-15H,4,11-13H2,1-2H3,(H2,26,27,28,29);4-10,12-13H,3,11H2,1-2H3,(H2,25,26,27,28);2-9,12,26,28H,10-11,13-14H2,1H3;3-9,11-12,27H,10H2,1-2H3,(H2,23,24,25,26)/b8-5+;;;;;;;;;;
InChIKeyLJHISILVSXFRNS-QEYZYTMHSA-N
XLogP53.19
TPSA801.24 Ų
H-Bond Donors23
H-Bond Acceptors58
Rotatable Bonds80
Heavy Atoms352
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004791.69
LogP ≤ 553.19
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1058

Analyze N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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 with MolForge

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What is the IUPAC name of N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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?
The IUPAC name of N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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 (CID 159367313) is N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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.
What is the SMILES notation for N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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?
The canonical SMILES for N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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 is CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CC(=O)NC5CC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(NS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCC5CCNCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCN(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4ccccc4OCCN4CCOCC4)n3)c2F)C1.CCC(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(/C=C/C(=O)N5CCOCC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(CN5CCC(CO)CC5)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4cccc(OCCN(C)C)c4)n3)ccc2[nH]1.Cc1cc2c(F)c(Cc3ccnc(Cc4ccccc4OCCO)n3)ccc2[nH]1.
What is the InChIKey of N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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?
The InChIKey is LJHISILVSXFRNS-QEYZYTMHSA-N. The full InChI is InChI=1S/C28H27FN4O2.C28H31FN4O.C26H28FN5O2.C26H28FN5O.C25H24FN5O.C25H28FN5O.C25H27FN4O.C24H25FN4O3S.C23H21FN4O.C23H22FN3O2.C21H20FN5O2S/c1-19-15-24-25(31-19)7-6-22(28(24)29)18-23-9-10-30-26(32-23)17-21-4-2-3-20(16-21)5-8-27(34)33-11-13-35-14-12-33;1-19-13-25-26(31-19)6-5-23(28(25)29)16-24-7-10-30-27(32-24)15-21-3-2-4-22(14-21)17-33-11-8-20(18-34)9-12-33;1-18-16-19-6-7-22(25(27)20(19)17-18)29-24-8-9-28-26(31-24)30-21-4-2-3-5-23(21)34-15-12-32-10-13-33-14-11-32;1-17-13-19-5-6-23(25(27)22(19)14-17)31-24-9-12-29-26(32-24)30-20-3-2-4-21(15-20)33-16-18-7-10-28-11-8-18;1-15-11-17-5-8-21(24(26)20(17)12-15)30-22-9-10-27-25(31-22)29-19-4-2-3-16(13-19)14-23(32)28-18-6-7-18;1-17-14-18-8-9-22(24(26)21(18)15-17)29-23-10-11-27-25(30-23)28-19-6-4-7-20(16-19)32-13-5-12-31(2)3;1-17-13-22-23(28-17)8-7-19(25(22)26)16-20-9-10-27-24(29-20)15-18-5-4-6-21(14-18)31-12-11-30(2)3;1-16-13-17-7-8-21(23(25)20(17)14-16)28-22-9-10-26-24(29-22)27-18-5-3-6-19(15-18)32-11-4-12-33(2,30)31;1-3-20(29)16-5-4-6-17(13-16)26-23-25-10-9-21(28-23)27-19-8-7-15-11-14(2)12-18(15)22(19)24;1-15-12-19-20(26-15)7-6-17(23(19)24)13-18-8-9-25-22(27-18)14-16-4-2-3-5-21(16)29-11-10-28;1-13-10-14-6-7-18(20(22)17(14)11-13)25-19-8-9-23-21(26-19)24-15-4-3-5-16(12-15)27-30(2,28)29/h2-10,15-16,31H,11-14,17-18H2,1H3;2-7,10,13-14,20,31,34H,8-9,11-12,15-18H2,1H3;2-9,17H,10-16H2,1H3,(H2,28,29,30,31);2-6,9,12,14-15,18,28H,7-8,10-11,13,16H2,1H3,(H2,29,30,31,32);2-5,8-10,12-13,18H,6-7,11,14H2,1H3,(H,28,32)(H2,27,29,30,31);4,6-11,15-16H,5,12-14H2,1-3H3,(H2,27,28,29,30);4-10,13-14,28H,11-12,15-16H2,1-3H3;3,5-10,14-15H,4,11-13H2,1-2H3,(H2,26,27,28,29);4-10,12-13H,3,11H2,1-2H3,(H2,25,26,27,28);2-9,12,26,28H,10-11,13-14H2,1H3;3-9,11-12,27H,10H2,1-2H3,(H2,23,24,25,26)/b8-5+;;;;;;;;;;.
What are the key properties of N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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?
N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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 has a molecular weight of 4791.69 g/mol, XLogP of 53.19, 80 rotatable bonds, 23 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide;2-N-[3-[3-(dimethylamino)propoxy]phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;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-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[2-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;2-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]-N,N-dimethylethanamine;2-[2-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenoxy]ethanol;[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 is sourced from PubChem (CID 159367313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).