N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol

C241H262Cl4F13N75O15 — CID 172919479

IUPACN-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol
SMILESCCCc1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1O.CN(C)Cc1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CN(C)Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CN(C)Cc1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CN(C)Cc1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.CN(C)Cc1cccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CNC(=O)c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1Cl.Cc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cc(Cl)cc(-c3ccccc3O)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1CN(C)C
InChIInChI=1S/2C28H26ClFN6O2.C24H26F4N8O.C24H29FN8O.C23H26ClFN8O.C23H27FN8O2.2C23H27FN8O.C23H26FN7O2.C22H22ClFN8O2/c1-18-11-23(33-24-13-21(12-22(29)15-24)19-3-2-4-25(37)14-19)6-5-20(18)16-32-35-28-31-17-26(30)27(34-28)36-7-9-38-10-8-36;1-18-12-22(33-23-14-20(13-21(29)15-23)24-4-2-3-5-26(24)37)7-6-19(18)16-32-35-28-31-17-25(30)27(34-28)36-8-10-38-11-9-36;1-35(2)15-16-9-17(24(26,27)28)11-20(10-16)32-19-4-3-18(29-12-19)13-31-34-23-30-14-21(25)22(33-23)36-5-7-37-8-6-36;1-17-12-19(5-4-18(17)16-32(2)3)29-21-7-6-20(26-13-21)14-28-31-24-27-15-22(25)23(30-24)33-8-10-34-11-9-33;1-32(2)15-16-9-17(24)11-20(10-16)29-19-4-3-18(26-12-19)13-28-31-23-27-14-21(25)22(30-23)33-5-7-34-8-6-33;1-31(2)15-16-9-19(11-20(33)10-16)28-18-4-3-17(25-12-18)13-27-30-23-26-14-21(24)22(29-23)32-5-7-34-8-6-32;1-31(2)16-17-3-5-18(6-4-17)28-20-8-7-19(25-13-20)14-27-30-23-26-15-21(24)22(29-23)32-9-11-33-12-10-32;1-31(2)16-17-4-3-5-18(12-17)28-20-7-6-19(25-13-20)14-27-30-23-26-15-21(24)22(29-23)32-8-10-33-11-9-32;1-2-3-16-4-5-17(12-21(16)32)28-19-7-6-18(25-13-19)14-27-30-23-26-15-20(24)22(29-23)31-8-10-33-11-9-31;1-25-21(33)17-5-4-14(10-18(17)23)29-16-3-2-15(26-11-16)12-28-31-22-27-13-19(24)20(30-22)32-6-8-34-9-7-32/h2-6,11-17,33,37H,7-10H2,1H3,(H,31,34,35);2-7,12-17,33,37H,8-11H2,1H3,(H,31,34,35);3-4,9-14,32H,5-8,15H2,1-2H3,(H,30,33,34);4-7,12-15,29H,8-11,16H2,1-3H3,(H,27,30,31);3-4,9-14,29H,5-8,15H2,1-2H3,(H,27,30,31);3-4,9-14,28,33H,5-8,15H2,1-2H3,(H,26,29,30);3-8,13-15,28H,9-12,16H2,1-2H3,(H,26,29,30);3-7,12-15,28H,8-11,16H2,1-2H3,(H,26,29,30);4-7,12-15,28,32H,2-3,8-11H2,1H3,(H,26,29,30);2-5,10-13,29H,6-9H2,1H3,(H,25,33)(H,27,30,31)/b2*32-16+;31-13+;28-14+;28-13+;27-13+;3*27-14+;28-12+
InChIKeyZUNRLWCRLUNPSZ-ANNUTMNQSA-N
MW4838.04 g/mol
LogP38.97
Rot. Bonds77

About N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol

N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol (PubChem CID 172919479) has the molecular formula C241H262Cl4F13N75O15 and a molecular weight of 4838.04 g/mol. Its IUPAC name is N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol.

Molecular Properties

Compound NameN-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol
PubChem CID172919479
Molecular FormulaC241H262Cl4F13N75O15
Molecular Weight4838.04 g/mol
Exact Mass4833.06
IUPAC NameN-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol
SMILESCCCc1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1O.CN(C)Cc1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CN(C)Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CN(C)Cc1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CN(C)Cc1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.CN(C)Cc1cccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CNC(=O)c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1Cl.Cc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cc(Cl)cc(-c3ccccc3O)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1CN(C)C
InChIInChI=1S/2C28H26ClFN6O2.C24H26F4N8O.C24H29FN8O.C23H26ClFN8O.C23H27FN8O2.2C23H27FN8O.C23H26FN7O2.C22H22ClFN8O2/c1-18-11-23(33-24-13-21(12-22(29)15-24)19-3-2-4-25(37)14-19)6-5-20(18)16-32-35-28-31-17-26(30)27(34-28)36-7-9-38-10-8-36;1-18-12-22(33-23-14-20(13-21(29)15-23)24-4-2-3-5-26(24)37)7-6-19(18)16-32-35-28-31-17-25(30)27(34-28)36-8-10-38-11-9-36;1-35(2)15-16-9-17(24(26,27)28)11-20(10-16)32-19-4-3-18(29-12-19)13-31-34-23-30-14-21(25)22(33-23)36-5-7-37-8-6-36;1-17-12-19(5-4-18(17)16-32(2)3)29-21-7-6-20(26-13-21)14-28-31-24-27-15-22(25)23(30-24)33-8-10-34-11-9-33;1-32(2)15-16-9-17(24)11-20(10-16)29-19-4-3-18(26-12-19)13-28-31-23-27-14-21(25)22(30-23)33-5-7-34-8-6-33;1-31(2)15-16-9-19(11-20(33)10-16)28-18-4-3-17(25-12-18)13-27-30-23-26-14-21(24)22(29-23)32-5-7-34-8-6-32;1-31(2)16-17-3-5-18(6-4-17)28-20-8-7-19(25-13-20)14-27-30-23-26-15-21(24)22(29-23)32-9-11-33-12-10-32;1-31(2)16-17-4-3-5-18(12-17)28-20-7-6-19(25-13-20)14-27-30-23-26-15-21(24)22(29-23)32-8-10-33-11-9-32;1-2-3-16-4-5-17(12-21(16)32)28-19-7-6-18(25-13-19)14-27-30-23-26-15-20(24)22(29-23)31-8-10-33-11-9-31;1-25-21(33)17-5-4-14(10-18(17)23)29-16-3-2-15(26-11-16)12-28-31-22-27-13-19(24)20(30-22)32-6-8-34-9-7-32/h2-6,11-17,33,37H,7-10H2,1H3,(H,31,34,35);2-7,12-17,33,37H,8-11H2,1H3,(H,31,34,35);3-4,9-14,32H,5-8,15H2,1-2H3,(H,30,33,34);4-7,12-15,29H,8-11,16H2,1-3H3,(H,27,30,31);3-4,9-14,29H,5-8,15H2,1-2H3,(H,27,30,31);3-4,9-14,28,33H,5-8,15H2,1-2H3,(H,26,29,30);3-8,13-15,28H,9-12,16H2,1-2H3,(H,26,29,30);3-7,12-15,28H,8-11,16H2,1-2H3,(H,26,29,30);4-7,12-15,28,32H,2-3,8-11H2,1H3,(H,26,29,30);2-5,10-13,29H,6-9H2,1H3,(H,25,33)(H,27,30,31)/b2*32-16+;31-13+;28-14+;28-13+;27-13+;3*27-14+;28-12+
InChIKeyZUNRLWCRLUNPSZ-ANNUTMNQSA-N
XLogP38.97
TPSA979.28 Ų
H-Bond Donors25
H-Bond Acceptors89
Rotatable Bonds77
Heavy Atoms348
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004838.04
LogP ≤ 538.97
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1089

Analyze N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol with MolForge

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What is the IUPAC name of N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol?
The IUPAC name of N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol (CID 172919479) is N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol.
What is the SMILES notation for N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol?
The canonical SMILES for N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol is CCCc1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1O.CN(C)Cc1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CN(C)Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CN(C)Cc1cc(O)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CN(C)Cc1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.CN(C)Cc1cccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.CNC(=O)c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1Cl.Cc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cc(Cl)cc(-c3ccccc3O)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)ccc1CN(C)C.
What is the InChIKey of N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol?
The InChIKey is ZUNRLWCRLUNPSZ-ANNUTMNQSA-N. The full InChI is InChI=1S/2C28H26ClFN6O2.C24H26F4N8O.C24H29FN8O.C23H26ClFN8O.C23H27FN8O2.2C23H27FN8O.C23H26FN7O2.C22H22ClFN8O2/c1-18-11-23(33-24-13-21(12-22(29)15-24)19-3-2-4-25(37)14-19)6-5-20(18)16-32-35-28-31-17-26(30)27(34-28)36-7-9-38-10-8-36;1-18-12-22(33-23-14-20(13-21(29)15-23)24-4-2-3-5-26(24)37)7-6-19(18)16-32-35-28-31-17-25(30)27(34-28)36-8-10-38-11-9-36;1-35(2)15-16-9-17(24(26,27)28)11-20(10-16)32-19-4-3-18(29-12-19)13-31-34-23-30-14-21(25)22(33-23)36-5-7-37-8-6-36;1-17-12-19(5-4-18(17)16-32(2)3)29-21-7-6-20(26-13-21)14-28-31-24-27-15-22(25)23(30-24)33-8-10-34-11-9-33;1-32(2)15-16-9-17(24)11-20(10-16)29-19-4-3-18(26-12-19)13-28-31-23-27-14-21(25)22(30-23)33-5-7-34-8-6-33;1-31(2)15-16-9-19(11-20(33)10-16)28-18-4-3-17(25-12-18)13-27-30-23-26-14-21(24)22(29-23)32-5-7-34-8-6-32;1-31(2)16-17-3-5-18(6-4-17)28-20-8-7-19(25-13-20)14-27-30-23-26-15-21(24)22(29-23)32-9-11-33-12-10-32;1-31(2)16-17-4-3-5-18(12-17)28-20-7-6-19(25-13-20)14-27-30-23-26-15-21(24)22(29-23)32-8-10-33-11-9-32;1-2-3-16-4-5-17(12-21(16)32)28-19-7-6-18(25-13-19)14-27-30-23-26-15-20(24)22(29-23)31-8-10-33-11-9-31;1-25-21(33)17-5-4-14(10-18(17)23)29-16-3-2-15(26-11-16)12-28-31-22-27-13-19(24)20(30-22)32-6-8-34-9-7-32/h2-6,11-17,33,37H,7-10H2,1H3,(H,31,34,35);2-7,12-17,33,37H,8-11H2,1H3,(H,31,34,35);3-4,9-14,32H,5-8,15H2,1-2H3,(H,30,33,34);4-7,12-15,29H,8-11,16H2,1-3H3,(H,27,30,31);3-4,9-14,29H,5-8,15H2,1-2H3,(H,27,30,31);3-4,9-14,28,33H,5-8,15H2,1-2H3,(H,26,29,30);3-8,13-15,28H,9-12,16H2,1-2H3,(H,26,29,30);3-7,12-15,28H,8-11,16H2,1-2H3,(H,26,29,30);4-7,12-15,28,32H,2-3,8-11H2,1H3,(H,26,29,30);2-5,10-13,29H,6-9H2,1H3,(H,25,33)(H,27,30,31)/b2*32-16+;31-13+;28-14+;28-13+;27-13+;3*27-14+;28-12+.
What are the key properties of N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol?
N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol has a molecular weight of 4838.04 g/mol, XLogP of 38.97, 77 rotatable bonds, 25 hydrogen bond donors, and 89 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[3-chloro-5-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;2-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-methylanilino]phenyl]phenol;2-chloro-4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-N-methylbenzamide;N-[(E)-[5-[3-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[4-[(dimethylamino)methyl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[(dimethylamino)methyl]-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenol;N-[(E)-[5-[4-[(dimethylamino)methyl]-3-methylanilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol is sourced from PubChem (CID 172919479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).