2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C293H313Cl8F34N85O20 — CID 172918286

IUPAC2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1-c1cc(Cl)c(O)c(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1-c1ccnc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cccc(Cl)c1CC(=O)C/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cccc(Cl)c1CC(=O)c1cccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)n1.Fc1cnc(N/N=C\c2cc(C(F)(F)F)ccn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2ccc(C(F)(F)F)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2cccc(C(F)(F)F)n2)nc1N1CCOCC1.O=C(C/C=N/Nc1ncc(F)c(N2CCOCC2)n1)Cc1cccc(C(F)(F)F)c1.OCCN1CCN(c2nc(N/N=C/c3cc(-c4cccc(C(F)(F)F)c4)cc(Cl)c3O)ncc2F)CC1
InChIInChI=1S/C28H32Cl2FN7O2.C28H30ClF4N7O2.C27H32ClFN8O.C27H31ClFN7O2.C27H30F4N8O.C26H31FN8O.C24H23ClF4N6O2.C23H22ClFN6O2.C19H21ClFN5O2.C19H19F4N5O2.3C15H14F4N6O/c1-18-11-19(17-37-5-3-36(2)4-6-37)12-22(29)25(18)20-13-21(26(39)23(30)14-20)15-33-35-28-32-16-24(31)27(34-28)38-7-9-40-10-8-38;1-38-4-6-39(7-5-38)17-19-3-2-18(13-22(19)28(31,32)33)20-12-21(25(41)23(29)14-20)15-35-37-27-34-16-24(30)26(36-27)40-8-10-42-11-9-40;1-19-13-20(18-36-7-5-35(2)6-8-36)14-23(28)25(19)21-3-4-30-22(15-21)16-32-34-27-31-17-24(29)26(33-27)37-9-11-38-12-10-37;1-34-6-8-35(9-7-34)18-19-2-4-20(5-3-19)21-14-22(25(37)23(28)15-21)16-31-33-27-30-17-24(29)26(32-27)36-10-12-38-13-11-36;1-37-6-8-38(9-7-37)18-21-3-2-19(15-23(21)27(29,30)31)20-4-5-32-22(14-20)16-34-36-26-33-17-24(28)25(35-26)39-10-12-40-13-11-39;1-33-8-10-34(11-9-33)19-20-2-4-21(5-3-20)22-6-7-28-23(16-22)17-30-32-26-29-18-24(27)25(31-26)35-12-14-36-15-13-35;25-19-12-16(15-2-1-3-18(11-15)24(27,28)29)10-17(21(19)37)13-31-33-23-30-14-20(26)22(32-23)35-6-4-34(5-7-35)8-9-36;1-15-4-2-6-18(24)17(15)12-21(32)20-7-3-5-16(28-20)13-27-30-23-26-14-19(25)22(29-23)31-8-10-33-11-9-31;1-13-3-2-4-16(20)15(13)11-14(27)5-6-23-25-19-22-12-17(21)18(24-19)26-7-9-28-10-8-26;20-16-12-24-18(26-17(16)28-6-8-30-9-7-28)27-25-5-4-15(29)11-13-2-1-3-14(10-13)19(21,22)23;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-7-10(1-2-20-11)15(17,18)19;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-2-1-10(7-20-11)15(17,18)19;16-11-9-20-14(23-13(11)25-4-6-26-7-5-25)24-21-8-10-2-1-3-12(22-10)15(17,18)19/h11-16,39H,3-10,17H2,1-2H3,(H,32,34,35);2-3,12-16,41H,4-11,17H2,1H3,(H,34,36,37);3-4,13-17H,5-12,18H2,1-2H3,(H,31,33,34);2-5,14-17,37H,6-13,18H2,1H3,(H,30,32,33);2-5,14-17H,6-13,18H2,1H3,(H,33,35,36);2-7,16-18H,8-15,19H2,1H3,(H,29,31,32);1-3,10-14,36-37H,4-9H2,(H,30,32,33);2-7,13-14H,8-12H2,1H3,(H,26,29,30);2-4,6,12H,5,7-11H2,1H3,(H,22,24,25);1-3,5,10,12H,4,6-9,11H2,(H,24,26,27);2*1-2,7-9H,3-6H2,(H,21,23,24);1-3,8-9H,4-7H2,(H,20,23,24)/b33-15+;35-15+;32-16+;31-16+;34-16+;30-17+;31-13+;27-13+;23-6+;25-5+;2*22-8-;21-8-
InChIKeyHULOUMUQZAIKMX-WIXSWXSASA-N
MW6274.86 g/mol
LogP44.02
Rot. Bonds82

About 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine

2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172918286) has the molecular formula C293H313Cl8F34N85O20 and a molecular weight of 6274.86 g/mol. Its IUPAC name is 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172918286
Molecular FormulaC293H313Cl8F34N85O20
Molecular Weight6274.86 g/mol
Exact Mass6267.31
IUPAC Name2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1-c1cc(Cl)c(O)c(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1-c1ccnc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cccc(Cl)c1CC(=O)C/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cccc(Cl)c1CC(=O)c1cccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)n1.Fc1cnc(N/N=C\c2cc(C(F)(F)F)ccn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2ccc(C(F)(F)F)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2cccc(C(F)(F)F)n2)nc1N1CCOCC1.O=C(C/C=N/Nc1ncc(F)c(N2CCOCC2)n1)Cc1cccc(C(F)(F)F)c1.OCCN1CCN(c2nc(N/N=C/c3cc(-c4cccc(C(F)(F)F)c4)cc(Cl)c3O)ncc2F)CC1
InChIInChI=1S/C28H32Cl2FN7O2.C28H30ClF4N7O2.C27H32ClFN8O.C27H31ClFN7O2.C27H30F4N8O.C26H31FN8O.C24H23ClF4N6O2.C23H22ClFN6O2.C19H21ClFN5O2.C19H19F4N5O2.3C15H14F4N6O/c1-18-11-19(17-37-5-3-36(2)4-6-37)12-22(29)25(18)20-13-21(26(39)23(30)14-20)15-33-35-28-32-16-24(31)27(34-28)38-7-9-40-10-8-38;1-38-4-6-39(7-5-38)17-19-3-2-18(13-22(19)28(31,32)33)20-12-21(25(41)23(29)14-20)15-35-37-27-34-16-24(30)26(36-27)40-8-10-42-11-9-40;1-19-13-20(18-36-7-5-35(2)6-8-36)14-23(28)25(19)21-3-4-30-22(15-21)16-32-34-27-31-17-24(29)26(33-27)37-9-11-38-12-10-37;1-34-6-8-35(9-7-34)18-19-2-4-20(5-3-19)21-14-22(25(37)23(28)15-21)16-31-33-27-30-17-24(29)26(32-27)36-10-12-38-13-11-36;1-37-6-8-38(9-7-37)18-21-3-2-19(15-23(21)27(29,30)31)20-4-5-32-22(14-20)16-34-36-26-33-17-24(28)25(35-26)39-10-12-40-13-11-39;1-33-8-10-34(11-9-33)19-20-2-4-21(5-3-20)22-6-7-28-23(16-22)17-30-32-26-29-18-24(27)25(31-26)35-12-14-36-15-13-35;25-19-12-16(15-2-1-3-18(11-15)24(27,28)29)10-17(21(19)37)13-31-33-23-30-14-20(26)22(32-23)35-6-4-34(5-7-35)8-9-36;1-15-4-2-6-18(24)17(15)12-21(32)20-7-3-5-16(28-20)13-27-30-23-26-14-19(25)22(29-23)31-8-10-33-11-9-31;1-13-3-2-4-16(20)15(13)11-14(27)5-6-23-25-19-22-12-17(21)18(24-19)26-7-9-28-10-8-26;20-16-12-24-18(26-17(16)28-6-8-30-9-7-28)27-25-5-4-15(29)11-13-2-1-3-14(10-13)19(21,22)23;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-7-10(1-2-20-11)15(17,18)19;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-2-1-10(7-20-11)15(17,18)19;16-11-9-20-14(23-13(11)25-4-6-26-7-5-25)24-21-8-10-2-1-3-12(22-10)15(17,18)19/h11-16,39H,3-10,17H2,1-2H3,(H,32,34,35);2-3,12-16,41H,4-11,17H2,1H3,(H,34,36,37);3-4,13-17H,5-12,18H2,1-2H3,(H,31,33,34);2-5,14-17,37H,6-13,18H2,1H3,(H,30,32,33);2-5,14-17H,6-13,18H2,1H3,(H,33,35,36);2-7,16-18H,8-15,19H2,1H3,(H,29,31,32);1-3,10-14,36-37H,4-9H2,(H,30,32,33);2-7,13-14H,8-12H2,1H3,(H,26,29,30);2-4,6,12H,5,7-11H2,1H3,(H,22,24,25);1-3,5,10,12H,4,6-9,11H2,(H,24,26,27);2*1-2,7-9H,3-6H2,(H,21,23,24);1-3,8-9H,4-7H2,(H,20,23,24)/b33-15+;35-15+;32-16+;31-16+;34-16+;30-17+;31-13+;27-13+;23-6+;25-5+;2*22-8-;21-8-
InChIKeyHULOUMUQZAIKMX-WIXSWXSASA-N
XLogP44.02
TPSA1089.80 Ų
H-Bond Donors18
H-Bond Acceptors105
Rotatable Bonds82
Heavy Atoms440
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006274.86
LogP ≤ 544.02
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 10105

Analyze 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172918286) is 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3cc(Cl)c(O)c(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2)CC1.CN1CCN(Cc2ccc(-c3ccnc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)c3)cc2C(F)(F)F)CC1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1-c1cc(Cl)c(O)c(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cc(CN2CCN(C)CC2)cc(Cl)c1-c1ccnc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)c1.Cc1cccc(Cl)c1CC(=O)C/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cccc(Cl)c1CC(=O)c1cccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)n1.Fc1cnc(N/N=C\c2cc(C(F)(F)F)ccn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2ccc(C(F)(F)F)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C\c2cccc(C(F)(F)F)n2)nc1N1CCOCC1.O=C(C/C=N/Nc1ncc(F)c(N2CCOCC2)n1)Cc1cccc(C(F)(F)F)c1.OCCN1CCN(c2nc(N/N=C/c3cc(-c4cccc(C(F)(F)F)c4)cc(Cl)c3O)ncc2F)CC1.
What is the InChIKey of 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is HULOUMUQZAIKMX-WIXSWXSASA-N. The full InChI is InChI=1S/C28H32Cl2FN7O2.C28H30ClF4N7O2.C27H32ClFN8O.C27H31ClFN7O2.C27H30F4N8O.C26H31FN8O.C24H23ClF4N6O2.C23H22ClFN6O2.C19H21ClFN5O2.C19H19F4N5O2.3C15H14F4N6O/c1-18-11-19(17-37-5-3-36(2)4-6-37)12-22(29)25(18)20-13-21(26(39)23(30)14-20)15-33-35-28-32-16-24(31)27(34-28)38-7-9-40-10-8-38;1-38-4-6-39(7-5-38)17-19-3-2-18(13-22(19)28(31,32)33)20-12-21(25(41)23(29)14-20)15-35-37-27-34-16-24(30)26(36-27)40-8-10-42-11-9-40;1-19-13-20(18-36-7-5-35(2)6-8-36)14-23(28)25(19)21-3-4-30-22(15-21)16-32-34-27-31-17-24(29)26(33-27)37-9-11-38-12-10-37;1-34-6-8-35(9-7-34)18-19-2-4-20(5-3-19)21-14-22(25(37)23(28)15-21)16-31-33-27-30-17-24(29)26(32-27)36-10-12-38-13-11-36;1-37-6-8-38(9-7-37)18-21-3-2-19(15-23(21)27(29,30)31)20-4-5-32-22(14-20)16-34-36-26-33-17-24(28)25(35-26)39-10-12-40-13-11-39;1-33-8-10-34(11-9-33)19-20-2-4-21(5-3-20)22-6-7-28-23(16-22)17-30-32-26-29-18-24(27)25(31-26)35-12-14-36-15-13-35;25-19-12-16(15-2-1-3-18(11-15)24(27,28)29)10-17(21(19)37)13-31-33-23-30-14-20(26)22(32-23)35-6-4-34(5-7-35)8-9-36;1-15-4-2-6-18(24)17(15)12-21(32)20-7-3-5-16(28-20)13-27-30-23-26-14-19(25)22(29-23)31-8-10-33-11-9-31;1-13-3-2-4-16(20)15(13)11-14(27)5-6-23-25-19-22-12-17(21)18(24-19)26-7-9-28-10-8-26;20-16-12-24-18(26-17(16)28-6-8-30-9-7-28)27-25-5-4-15(29)11-13-2-1-3-14(10-13)19(21,22)23;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-7-10(1-2-20-11)15(17,18)19;16-12-9-21-14(23-13(12)25-3-5-26-6-4-25)24-22-8-11-2-1-10(7-20-11)15(17,18)19;16-11-9-20-14(23-13(11)25-4-6-26-7-5-25)24-21-8-10-2-1-3-12(22-10)15(17,18)19/h11-16,39H,3-10,17H2,1-2H3,(H,32,34,35);2-3,12-16,41H,4-11,17H2,1H3,(H,34,36,37);3-4,13-17H,5-12,18H2,1-2H3,(H,31,33,34);2-5,14-17,37H,6-13,18H2,1H3,(H,30,32,33);2-5,14-17H,6-13,18H2,1H3,(H,33,35,36);2-7,16-18H,8-15,19H2,1H3,(H,29,31,32);1-3,10-14,36-37H,4-9H2,(H,30,32,33);2-7,13-14H,8-12H2,1H3,(H,26,29,30);2-4,6,12H,5,7-11H2,1H3,(H,22,24,25);1-3,5,10,12H,4,6-9,11H2,(H,24,26,27);2*1-2,7-9H,3-6H2,(H,21,23,24);1-3,8-9H,4-7H2,(H,20,23,24)/b33-15+;35-15+;32-16+;31-16+;34-16+;30-17+;31-13+;27-13+;23-6+;25-5+;2*22-8-;21-8-.
What are the key properties of 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 6274.86 g/mol, XLogP of 44.02, 82 rotatable bonds, 18 hydrogen bond donors, and 105 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol;2-chloro-6-[(E)-[[5-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-2-yl]hydrazinylidene]methyl]-4-[3-(trifluoromethyl)phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenol;2-chloro-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]phenol;N-[(E)-[4-[2-chloro-6-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;(4E)-1-(2-chloro-6-methylphenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]butan-2-one;2-(2-chloro-6-methylphenyl)-1-[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]ethanone;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[4-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;(4E)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]-1-[3-(trifluoromethyl)phenyl]butan-2-one;5-fluoro-4-morpholin-4-yl-N-[(Z)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[5-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(Z)-[6-(trifluoromethyl)-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172918286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).