About 5-[(1Z,3E)-5-chloro-2-methoxy-4-piperazin-1-ylhexa-1,3,5-trienyl]-3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-ethoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine
5-[(1Z,3E)-5-chloro-2-methoxy-4-piperazin-1-ylhexa-1,3,5-trienyl]-3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-ethoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 160674903) has the molecular formula C172H182Cl11F11N30O15
and a molecular weight of 3508.50 g/mol. Its IUPAC name is 5-[(1Z,3E)-5-chloro-2-methoxy-4-piperazin-1-ylhexa-1,3,5-trienyl]-3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-ethoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine.
Frequently Asked Questions
What is the IUPAC name of 5-[(1Z,3E)-5-chloro-2-methoxy-4-piperazin-1-ylhexa-1,3,5-trienyl]-3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-ethoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 5-[(1Z,3E)-5-chloro-2-methoxy-4-piperazin-1-ylhexa-1,3,5-trienyl]-3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-ethoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine (CID 160674903) is 5-[(1Z,3E)-5-chloro-2-methoxy-4-piperazin-1-ylhexa-1,3,5-trienyl]-3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-ethoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-[(1Z,3E)-5-chloro-2-methoxy-4-piperazin-1-ylhexa-1,3,5-trienyl]-3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-ethoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 5-[(1Z,3E)-5-chloro-2-methoxy-4-piperazin-1-ylhexa-1,3,5-trienyl]-3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-ethoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine is C=C(Cl)/C(=C\C(=C\c1cnc(N)c(OC(C)c2cc(F)ccc2C(C)(F)F)c1)OC)N1CCNCC1.CCOc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cnc1C1=CCNCC1.COc1c(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cncc1N1CCNCC1.COc1cc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cnc1C1=CCNCC1C.COc1cc(N2CCNCC2)ccc1-c1cnc(N)c(OC(C)c2cc(F)ccc2C(C)(F)F)c1.COc1cc(N2CCOCC2)ncc1-c1cnc(N)c(O[C@H](C)c2c(Cl)ccc(F)c2Cl)c1.COc1ccc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)nc1N1CCNC[C@@H]1C.
What is the InChIKey of 5-[(1Z,3E)-5-chloro-2-methoxy-4-piperazin-1-ylhexa-1,3,5-trienyl]-3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-ethoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is RNKFPOLYASYZHH-KZJYZFEYSA-N. The full InChI is InChI=1S/C26H30ClF3N4O2.C26H29F3N4O2.2C25H25Cl2FN4O2.C24H26Cl2FN5O2.C23H24Cl2FN5O2.C23H23Cl2FN4O3/c1-16(27)23(34-9-7-32-8-10-34)14-20(35-4)11-18-12-24(25(31)33-15-18)36-17(2)21-13-19(28)5-6-22(21)26(3,29)30;1-16(21-13-18(27)4-7-22(21)26(2,28)29)35-24-12-17(15-32-25(24)30)20-6-5-19(14-23(20)34-3)33-10-8-31-9-11-33;1-13-10-30-7-6-17(13)24-20(33-3)8-15(11-31-24)16-9-21(25(29)32-12-16)34-14(2)22-18(26)4-5-19(28)23(22)27;1-3-33-20-10-16(12-31-24(20)15-6-8-30-9-7-15)17-11-21(25(29)32-13-17)34-14(2)22-18(26)4-5-19(28)23(22)27;1-13-11-29-8-9-32(13)24-19(33-3)7-6-18(31-24)15-10-20(23(28)30-12-15)34-14(2)21-16(25)4-5-17(27)22(21)26;1-13(20-16(24)3-4-17(26)21(20)25)33-19-9-14(10-30-23(19)27)15-11-29-12-18(22(15)32-2)31-7-5-28-6-8-31;1-13(21-16(24)3-4-17(26)22(21)25)33-19-9-14(11-29-23(19)27)15-12-28-20(10-18(15)31-2)30-5-7-32-8-6-30/h5-6,11-15,17,32H,1,7-10H2,2-4H3,(H2,31,33);4-7,12-16,31H,8-11H2,1-3H3,(H2,30,32);4-6,8-9,11-14,30H,7,10H2,1-3H3,(H2,29,32);4-6,10-14,30H,3,7-9H2,1-2H3,(H2,29,32);4-7,10,12-14,29H,8-9,11H2,1-3H3,(H2,28,30);3-4,9-13,28H,5-8H2,1-2H3,(H2,27,30);3-4,9-13H,5-8H2,1-2H3,(H2,27,29)/b20-11-,23-14+;;;;;;/t;;13?,14-;14-;13-,14+;2*13-/m..11011/s1.
What are the key properties of 5-[(1Z,3E)-5-chloro-2-methoxy-4-piperazin-1-ylhexa-1,3,5-trienyl]-3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-ethoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine?
5-[(1Z,3E)-5-chloro-2-methoxy-4-piperazin-1-ylhexa-1,3,5-trienyl]-3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-ethoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 3508.50 g/mol, XLogP of 37.76, 47 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z,3E)-5-chloro-2-methoxy-4-piperazin-1-ylhexa-1,3,5-trienyl]-3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-ethoxy-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[5-methoxy-6-(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-6-morpholin-4-yl-3-pyridinyl)pyridin-2-amine;3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-methoxy-5-piperazin-1-yl-3-pyridinyl)pyridin-2-amine;3-[1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethoxy]-5-(2-methoxy-4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 160674903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).