2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C247H220Cl3F19N84O13 — CID 172918623

IUPAC2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESFc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccncn4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cnccn4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-n4ccnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccncn4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4ccncn4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cnccn4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-n4ccnc4)c3)cn2)nc1N1CCOCC1.Oc1cc(Cl)cc(-c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1ccc(-c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cc1.Oc1ccccc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1
InChIInChI=1S/2C26H23ClFN7O2.C26H24FN7O2.2C25H21F4N9O.C24H21ClFN9O.C24H21F4N9O.2C24H22FN9O.C23H22FN9O/c27-19-10-18(12-23(36)13-19)17-2-1-3-20(11-17)32-22-5-4-21(29-14-22)15-31-34-26-30-16-24(28)25(33-26)35-6-8-37-9-7-35;27-18-11-17(22-3-1-2-4-24(22)36)12-21(13-18)32-20-6-5-19(29-14-20)15-31-34-26-30-16-23(28)25(33-26)35-7-9-37-10-8-35;27-24-17-29-26(32-25(24)34-10-12-36-13-11-34)33-30-16-21-6-7-22(15-28-21)31-20-3-1-2-19(14-20)18-4-8-23(35)9-5-18;26-21-14-33-24(36-23(21)38-5-7-39-8-6-38)37-34-13-18-1-2-19(12-32-18)35-20-10-16(22-15-30-3-4-31-22)9-17(11-20)25(27,28)29;26-21-14-32-24(36-23(21)38-5-7-39-8-6-38)37-34-13-18-1-2-19(12-31-18)35-20-10-16(22-3-4-30-15-33-22)9-17(11-20)25(27,28)29;25-17-9-16(22-3-4-27-15-30-22)10-20(11-17)32-19-2-1-18(28-12-19)13-31-34-24-29-14-21(26)23(33-24)35-5-7-36-8-6-35;25-21-14-31-23(34-22(21)36-5-7-38-8-6-36)35-32-13-17-1-2-18(12-30-17)33-19-9-16(24(26,27)28)10-20(11-19)37-4-3-29-15-37;25-21-15-29-24(32-23(21)34-8-10-35-11-9-34)33-30-14-19-4-5-20(13-28-19)31-18-3-1-2-17(12-18)22-16-26-6-7-27-22;25-21-15-28-24(32-23(21)34-8-10-35-11-9-34)33-30-14-19-4-5-20(13-27-19)31-18-3-1-2-17(12-18)22-6-7-26-16-29-22;24-21-15-27-23(30-22(21)32-8-10-34-11-9-32)31-28-14-18-4-5-19(13-26-18)29-17-2-1-3-20(12-17)33-7-6-25-16-33/h1-5,10-16,32,36H,6-9H2,(H,30,33,34);1-6,11-16,32,36H,7-10H2,(H,30,33,34);1-9,14-17,31,35H,10-13H2,(H,29,32,33);1-4,9-15,35H,5-8H2,(H,33,36,37);1-4,9-15,35H,5-8H2,(H,32,36,37);1-4,9-15,32H,5-8H2,(H,29,33,34);1-4,9-15,33H,5-8H2,(H,31,34,35);1-7,12-16,31H,8-11H2,(H,29,32,33);1-7,12-16,31H,8-11H2,(H,28,32,33);1-7,12-16,29H,8-11H2,(H,27,30,31)/b2*31-15+;30-16+;2*34-13+;31-13+;32-13+;2*30-14+;28-14+
InChIKeyMDRMKUZRYBKBTK-QRESWTNSSA-N
MW5040.37 g/mol
LogP42.16
Rot. Bonds70

About 2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172918623) has the molecular formula C247H220Cl3F19N84O13 and a molecular weight of 5040.37 g/mol. Its IUPAC name is 2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172918623
Molecular FormulaC247H220Cl3F19N84O13
Molecular Weight5040.37 g/mol
Exact Mass5035.79
IUPAC Name2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESFc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccncn4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cnccn4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-n4ccnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccncn4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4ccncn4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cnccn4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-n4ccnc4)c3)cn2)nc1N1CCOCC1.Oc1cc(Cl)cc(-c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1ccc(-c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cc1.Oc1ccccc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1
InChIInChI=1S/2C26H23ClFN7O2.C26H24FN7O2.2C25H21F4N9O.C24H21ClFN9O.C24H21F4N9O.2C24H22FN9O.C23H22FN9O/c27-19-10-18(12-23(36)13-19)17-2-1-3-20(11-17)32-22-5-4-21(29-14-22)15-31-34-26-30-16-24(28)25(33-26)35-6-8-37-9-7-35;27-18-11-17(22-3-1-2-4-24(22)36)12-21(13-18)32-20-6-5-19(29-14-20)15-31-34-26-30-16-23(28)25(33-26)35-7-9-37-10-8-35;27-24-17-29-26(32-25(24)34-10-12-36-13-11-34)33-30-16-21-6-7-22(15-28-21)31-20-3-1-2-19(14-20)18-4-8-23(35)9-5-18;26-21-14-33-24(36-23(21)38-5-7-39-8-6-38)37-34-13-18-1-2-19(12-32-18)35-20-10-16(22-15-30-3-4-31-22)9-17(11-20)25(27,28)29;26-21-14-32-24(36-23(21)38-5-7-39-8-6-38)37-34-13-18-1-2-19(12-31-18)35-20-10-16(22-3-4-30-15-33-22)9-17(11-20)25(27,28)29;25-17-9-16(22-3-4-27-15-30-22)10-20(11-17)32-19-2-1-18(28-12-19)13-31-34-24-29-14-21(26)23(33-24)35-5-7-36-8-6-35;25-21-14-31-23(34-22(21)36-5-7-38-8-6-36)35-32-13-17-1-2-18(12-30-17)33-19-9-16(24(26,27)28)10-20(11-19)37-4-3-29-15-37;25-21-15-29-24(32-23(21)34-8-10-35-11-9-34)33-30-14-19-4-5-20(13-28-19)31-18-3-1-2-17(12-18)22-16-26-6-7-27-22;25-21-15-28-24(32-23(21)34-8-10-35-11-9-34)33-30-14-19-4-5-20(13-27-19)31-18-3-1-2-17(12-18)22-6-7-26-16-29-22;24-21-15-27-23(30-22(21)32-8-10-34-11-9-32)31-28-14-18-4-5-19(13-26-18)29-17-2-1-3-20(12-17)33-7-6-25-16-33/h1-5,10-16,32,36H,6-9H2,(H,30,33,34);1-6,11-16,32,36H,7-10H2,(H,30,33,34);1-9,14-17,31,35H,10-13H2,(H,29,32,33);1-4,9-15,35H,5-8H2,(H,33,36,37);1-4,9-15,35H,5-8H2,(H,32,36,37);1-4,9-15,32H,5-8H2,(H,29,33,34);1-4,9-15,33H,5-8H2,(H,31,34,35);1-7,12-16,31H,8-11H2,(H,29,32,33);1-7,12-16,31H,8-11H2,(H,28,32,33);1-7,12-16,29H,8-11H2,(H,27,30,31)/b2*31-15+;30-16+;2*34-13+;31-13+;32-13+;2*30-14+;28-14+
InChIKeyMDRMKUZRYBKBTK-QRESWTNSSA-N
XLogP42.16
TPSA1100.83 Ų
H-Bond Donors23
H-Bond Acceptors97
Rotatable Bonds70
Heavy Atoms366
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005040.37
LogP ≤ 542.16
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1097

Analyze 2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of 2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172918623) is 2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccncn4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cnccn4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-n4ccnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(Cl)cc(-c4ccncn4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4ccncn4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cnccn4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-n4ccnc4)c3)cn2)nc1N1CCOCC1.Oc1cc(Cl)cc(-c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)c1.Oc1ccc(-c2cccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)c2)cc1.Oc1ccccc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.
What is the InChIKey of 2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is MDRMKUZRYBKBTK-QRESWTNSSA-N. The full InChI is InChI=1S/2C26H23ClFN7O2.C26H24FN7O2.2C25H21F4N9O.C24H21ClFN9O.C24H21F4N9O.2C24H22FN9O.C23H22FN9O/c27-19-10-18(12-23(36)13-19)17-2-1-3-20(11-17)32-22-5-4-21(29-14-22)15-31-34-26-30-16-24(28)25(33-26)35-6-8-37-9-7-35;27-18-11-17(22-3-1-2-4-24(22)36)12-21(13-18)32-20-6-5-19(29-14-20)15-31-34-26-30-16-23(28)25(33-26)35-7-9-37-10-8-35;27-24-17-29-26(32-25(24)34-10-12-36-13-11-34)33-30-16-21-6-7-22(15-28-21)31-20-3-1-2-19(14-20)18-4-8-23(35)9-5-18;26-21-14-33-24(36-23(21)38-5-7-39-8-6-38)37-34-13-18-1-2-19(12-32-18)35-20-10-16(22-15-30-3-4-31-22)9-17(11-20)25(27,28)29;26-21-14-32-24(36-23(21)38-5-7-39-8-6-38)37-34-13-18-1-2-19(12-31-18)35-20-10-16(22-3-4-30-15-33-22)9-17(11-20)25(27,28)29;25-17-9-16(22-3-4-27-15-30-22)10-20(11-17)32-19-2-1-18(28-12-19)13-31-34-24-29-14-21(26)23(33-24)35-5-7-36-8-6-35;25-21-14-31-23(34-22(21)36-5-7-38-8-6-36)35-32-13-17-1-2-18(12-30-17)33-19-9-16(24(26,27)28)10-20(11-19)37-4-3-29-15-37;25-21-15-29-24(32-23(21)34-8-10-35-11-9-34)33-30-14-19-4-5-20(13-28-19)31-18-3-1-2-17(12-18)22-16-26-6-7-27-22;25-21-15-28-24(32-23(21)34-8-10-35-11-9-34)33-30-14-19-4-5-20(13-27-19)31-18-3-1-2-17(12-18)22-6-7-26-16-29-22;24-21-15-27-23(30-22(21)32-8-10-34-11-9-32)31-28-14-18-4-5-19(13-26-18)29-17-2-1-3-20(12-17)33-7-6-25-16-33/h1-5,10-16,32,36H,6-9H2,(H,30,33,34);1-6,11-16,32,36H,7-10H2,(H,30,33,34);1-9,14-17,31,35H,10-13H2,(H,29,32,33);1-4,9-15,35H,5-8H2,(H,33,36,37);1-4,9-15,35H,5-8H2,(H,32,36,37);1-4,9-15,32H,5-8H2,(H,29,33,34);1-4,9-15,33H,5-8H2,(H,31,34,35);1-7,12-16,31H,8-11H2,(H,29,32,33);1-7,12-16,31H,8-11H2,(H,28,32,33);1-7,12-16,29H,8-11H2,(H,27,30,31)/b2*31-15+;30-16+;2*34-13+;31-13+;32-13+;2*30-14+;28-14+.
What are the key properties of 2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 5040.37 g/mol, XLogP of 42.16, 70 rotatable bonds, 23 hydrogen bond donors, and 97 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;3-chloro-5-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;N-[(E)-[5-(3-chloro-5-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-imidazol-1-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-imidazol-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrazin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrazin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrimidin-4-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrimidin-4-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172918623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).