N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C247H239Cl2F16N71O15S5 — CID 172983884

IUPACN-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCC1OCCC1c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccsc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2cncs2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C2CCSC2)c1.Cc1ccoc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cccs4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccoc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccs4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C4CCOC4)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C25H27ClFN7O2.C25H23ClFN7O2.C25H21F4N7O2.C25H21F4N7OS.C25H24FN7O2.C25H28FN7OS.C25H24FN7OS.C24H23FN8OS.C24H26FN7O2.C24H22FN7OS/c1-16-22(4-7-36-16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-23(27)24(32-25)34-5-8-35-9-6-34;1-16-4-7-36-23(16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-22(27)24(32-25)34-5-8-35-9-6-34;26-22-14-31-24(34-23(22)36-4-7-37-8-5-36)35-32-13-19-1-2-20(12-30-19)33-21-10-17(16-3-6-38-15-16)9-18(11-21)25(27,28)29;26-21-15-31-24(34-23(21)36-5-7-37-8-6-36)35-32-14-18-3-4-19(13-30-18)33-20-11-16(22-2-1-9-38-22)10-17(12-20)25(27,28)29;1-17-11-18(23-3-2-8-35-23)13-21(12-17)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-6-9-34-10-7-33;2*1-17-10-19(18-4-9-35-16-18)12-22(11-17)30-21-3-2-20(27-13-21)14-29-32-25-28-15-23(26)24(31-25)33-5-7-34-8-6-33;1-16-8-17(22-14-26-15-35-22)10-20(9-16)30-19-3-2-18(27-11-19)12-29-32-24-28-13-21(25)23(31-24)33-4-6-34-7-5-33;25-22-15-27-24(30-23(22)32-7-10-33-11-8-32)31-28-14-20-4-5-21(13-26-20)29-19-3-1-2-17(12-19)18-6-9-34-16-18;25-21-16-27-24(30-23(21)32-8-10-33-11-9-32)31-28-15-19-6-7-20(14-26-19)29-18-4-1-3-17(13-18)22-5-2-12-34-22/h2-3,10-16,22,31H,4-9H2,1H3,(H,29,32,33);2-4,7,10-15,31H,5-6,8-9H2,1H3,(H,29,32,33);1-3,6,9-15,33H,4-5,7-8H2,(H,31,34,35);1-4,9-15,33H,5-8H2,(H,31,34,35);2-5,8,11-16,30H,6-7,9-10H2,1H3,(H,28,31,32);2-3,10-15,18,30H,4-9,16H2,1H3,(H,28,31,32);2-4,9-16,30H,5-8H2,1H3,(H,28,31,32);2-3,8-15,30H,4-7H2,1H3,(H,28,31,32);1-5,12-15,18,29H,6-11,16H2,(H,27,30,31);1-7,12-16,29H,8-11H2,(H,27,30,31)/b2*30-14+;32-13+;32-14+;29-15+;2*29-14+;29-12+;28-14+;28-15+
InChIKeyOURQQPDXOMMZSE-KEAQMIRYSA-N
MW4977.32 g/mol
LogP47.96
Rot. Bonds70

About N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172983884) has the molecular formula C247H239Cl2F16N71O15S5 and a molecular weight of 4977.32 g/mol. Its IUPAC name is N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172983884
Molecular FormulaC247H239Cl2F16N71O15S5
Molecular Weight4977.32 g/mol
Exact Mass4972.78
IUPAC NameN-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCC1OCCC1c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccsc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2cncs2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C2CCSC2)c1.Cc1ccoc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cccs4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccoc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccs4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C4CCOC4)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C25H27ClFN7O2.C25H23ClFN7O2.C25H21F4N7O2.C25H21F4N7OS.C25H24FN7O2.C25H28FN7OS.C25H24FN7OS.C24H23FN8OS.C24H26FN7O2.C24H22FN7OS/c1-16-22(4-7-36-16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-23(27)24(32-25)34-5-8-35-9-6-34;1-16-4-7-36-23(16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-22(27)24(32-25)34-5-8-35-9-6-34;26-22-14-31-24(34-23(22)36-4-7-37-8-5-36)35-32-13-19-1-2-20(12-30-19)33-21-10-17(16-3-6-38-15-16)9-18(11-21)25(27,28)29;26-21-15-31-24(34-23(21)36-5-7-37-8-6-36)35-32-14-18-3-4-19(13-30-18)33-20-11-16(22-2-1-9-38-22)10-17(12-20)25(27,28)29;1-17-11-18(23-3-2-8-35-23)13-21(12-17)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-6-9-34-10-7-33;2*1-17-10-19(18-4-9-35-16-18)12-22(11-17)30-21-3-2-20(27-13-21)14-29-32-25-28-15-23(26)24(31-25)33-5-7-34-8-6-33;1-16-8-17(22-14-26-15-35-22)10-20(9-16)30-19-3-2-18(27-11-19)12-29-32-24-28-13-21(25)23(31-24)33-4-6-34-7-5-33;25-22-15-27-24(30-23(22)32-7-10-33-11-8-32)31-28-14-20-4-5-21(13-26-20)29-19-3-1-2-17(12-19)18-6-9-34-16-18;25-21-16-27-24(30-23(21)32-8-10-33-11-9-32)31-28-15-19-6-7-20(14-26-19)29-18-4-1-3-17(13-18)22-5-2-12-34-22/h2-3,10-16,22,31H,4-9H2,1H3,(H,29,32,33);2-4,7,10-15,31H,5-6,8-9H2,1H3,(H,29,32,33);1-3,6,9-15,33H,4-5,7-8H2,(H,31,34,35);1-4,9-15,33H,5-8H2,(H,31,34,35);2-5,8,11-16,30H,6-7,9-10H2,1H3,(H,28,31,32);2-3,10-15,18,30H,4-9,16H2,1H3,(H,28,31,32);2-4,9-16,30H,5-8H2,1H3,(H,28,31,32);2-3,8-15,30H,4-7H2,1H3,(H,28,31,32);1-5,12-15,18,29H,6-11,16H2,(H,27,30,31);1-7,12-16,29H,8-11H2,(H,27,30,31)/b2*30-14+;32-13+;32-14+;29-15+;2*29-14+;29-12+;28-14+;28-15+
InChIKeyOURQQPDXOMMZSE-KEAQMIRYSA-N
XLogP47.96
TPSA946.37 Ų
H-Bond Donors20
H-Bond Acceptors91
Rotatable Bonds70
Heavy Atoms356
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004977.32
LogP ≤ 547.96
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1091

Analyze N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-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 N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172983884) is N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CC1OCCC1c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccsc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2cncs2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C2CCSC2)c1.Cc1ccoc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cccs4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccoc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccs4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C4CCOC4)c3)cn2)nc1N1CCOCC1.
What is the InChIKey of N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is OURQQPDXOMMZSE-KEAQMIRYSA-N. The full InChI is InChI=1S/C25H27ClFN7O2.C25H23ClFN7O2.C25H21F4N7O2.C25H21F4N7OS.C25H24FN7O2.C25H28FN7OS.C25H24FN7OS.C24H23FN8OS.C24H26FN7O2.C24H22FN7OS/c1-16-22(4-7-36-16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-23(27)24(32-25)34-5-8-35-9-6-34;1-16-4-7-36-23(16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-22(27)24(32-25)34-5-8-35-9-6-34;26-22-14-31-24(34-23(22)36-4-7-37-8-5-36)35-32-13-19-1-2-20(12-30-19)33-21-10-17(16-3-6-38-15-16)9-18(11-21)25(27,28)29;26-21-15-31-24(34-23(21)36-5-7-37-8-6-36)35-32-14-18-3-4-19(13-30-18)33-20-11-16(22-2-1-9-38-22)10-17(12-20)25(27,28)29;1-17-11-18(23-3-2-8-35-23)13-21(12-17)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-6-9-34-10-7-33;2*1-17-10-19(18-4-9-35-16-18)12-22(11-17)30-21-3-2-20(27-13-21)14-29-32-25-28-15-23(26)24(31-25)33-5-7-34-8-6-33;1-16-8-17(22-14-26-15-35-22)10-20(9-16)30-19-3-2-18(27-11-19)12-29-32-24-28-13-21(25)23(31-24)33-4-6-34-7-5-33;25-22-15-27-24(30-23(22)32-7-10-33-11-8-32)31-28-14-20-4-5-21(13-26-20)29-19-3-1-2-17(12-19)18-6-9-34-16-18;25-21-16-27-24(30-23(21)32-8-10-33-11-9-32)31-28-15-19-6-7-20(14-26-19)29-18-4-1-3-17(13-18)22-5-2-12-34-22/h2-3,10-16,22,31H,4-9H2,1H3,(H,29,32,33);2-4,7,10-15,31H,5-6,8-9H2,1H3,(H,29,32,33);1-3,6,9-15,33H,4-5,7-8H2,(H,31,34,35);1-4,9-15,33H,5-8H2,(H,31,34,35);2-5,8,11-16,30H,6-7,9-10H2,1H3,(H,28,31,32);2-3,10-15,18,30H,4-9,16H2,1H3,(H,28,31,32);2-4,9-16,30H,5-8H2,1H3,(H,28,31,32);2-3,8-15,30H,4-7H2,1H3,(H,28,31,32);1-5,12-15,18,29H,6-11,16H2,(H,27,30,31);1-7,12-16,29H,8-11H2,(H,27,30,31)/b2*30-14+;32-13+;32-14+;29-15+;2*29-14+;29-12+;28-14+;28-15+.
What are the key properties of N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 4977.32 g/mol, XLogP of 47.96, 70 rotatable bonds, 20 hydrogen bond donors, and 91 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-(3-methyl-5-thiophen-3-ylanilino)-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-(oxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-thiophen-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172983884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).