(E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C332H236Cl3F30N37O24 — CID 159671912

IUPAC(E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)cc(OC)c1OC.COc1cc(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)ccc1O.COc1ccc(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)cc1.COc1ccc(OC)c(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)c1.Nc1ccc(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)cc1.O=C(/C=C/c1cc(F)cc(F)c1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1cc(O)c(O)c(O)c1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1ccc(Cl)cc1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1ccc(F)cc1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1cccc(O)c1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C30H25F2N3O4.C29H23F2N3O3.C28H18F5N3O.C28H21F2N3O3.C28H21F2N3O2.C27H17Cl2F2N3O.C27H18ClF2N3O.C27H17F4N3O.C27H18F3N3O.C27H20F2N4O.C27H19F2N3O4.C27H19F2N3O2/c1-37-25-10-17(11-26(38-2)30(25)39-3)8-9-27(36)33-16-21-15-23-22-6-4-5-7-24(22)35-29(23)28(34-21)18-12-19(31)14-20(32)13-18;1-36-22-8-9-26(37-2)17(13-22)7-10-27(35)32-16-21-15-24-23-5-3-4-6-25(23)34-29(24)28(33-21)18-11-19(30)14-20(31)12-18;29-19-11-17(12-20(30)13-19)26-27-23(22-3-1-2-4-24(22)36-27)14-21(35-26)15-34-25(37)10-7-16-5-8-18(9-6-16)28(31,32)33;1-36-25-10-16(6-8-24(25)34)7-9-26(35)31-15-20-14-22-21-4-2-3-5-23(21)33-28(22)27(32-20)17-11-18(29)13-19(30)12-17;1-35-22-9-6-17(7-10-22)8-11-26(34)31-16-21-15-24-23-4-2-3-5-25(23)33-28(24)27(32-21)18-12-19(29)14-20(30)13-18;28-22-7-5-15(9-23(22)29)6-8-25(35)32-14-19-13-21-20-3-1-2-4-24(20)34-27(21)26(33-19)16-10-17(30)12-18(31)11-16;28-18-8-5-16(6-9-18)7-10-25(34)31-15-21-14-23-22-3-1-2-4-24(22)33-27(23)26(32-21)17-11-19(29)13-20(30)12-17;28-17-7-15(8-18(29)11-17)5-6-25(35)32-14-21-13-23-22-3-1-2-4-24(22)34-27(23)26(33-21)16-9-19(30)12-20(31)10-16;28-18-8-5-16(6-9-18)7-10-25(34)31-15-21-14-23-22-3-1-2-4-24(22)33-27(23)26(32-21)17-11-19(29)13-20(30)12-17;28-18-11-17(12-19(29)13-18)26-27-23(22-3-1-2-4-24(22)33-27)14-21(32-26)15-31-25(34)10-7-16-5-8-20(30)9-6-16;28-16-9-15(10-17(29)11-16)25-26-20(19-3-1-2-4-21(19)32-26)12-18(31-25)13-30-24(35)6-5-14-7-22(33)27(36)23(34)8-14;28-18-11-17(12-19(29)13-18)26-27-23(22-6-1-2-7-24(22)32-27)14-20(31-26)15-30-25(34)9-8-16-4-3-5-21(33)10-16/h4-15,35H,16H2,1-3H3,(H,33,36);3-15,34H,16H2,1-2H3,(H,32,35);1-14,36H,15H2,(H,34,37);2-14,33-34H,15H2,1H3,(H,31,35);2-15,33H,16H2,1H3,(H,31,34);1-13,34H,14H2,(H,32,35);1-14,33H,15H2,(H,31,34);1-13,34H,14H2,(H,32,35);1-14,33H,15H2,(H,31,34);1-14,33H,15,30H2,(H,31,34);1-12,32-34,36H,13H2,(H,30,35);1-14,32-33H,15H2,(H,30,34)/b9-8+;2*10-7+;9-7+;11-8+;8-6+;10-7+;6-5+;2*10-7+;6-5+;9-8+
InChIKeyMUCIPVLKMJTUNX-AXIBVTQMSA-N
MW5804.07 g/mol
LogP73.46
Rot. Bonds67

About (E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 159671912) has the molecular formula C332H236Cl3F30N37O24 and a molecular weight of 5804.07 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID159671912
Molecular FormulaC332H236Cl3F30N37O24
Molecular Weight5804.07 g/mol
Exact Mass5798.70
IUPAC Name(E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)cc(OC)c1OC.COc1cc(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)ccc1O.COc1ccc(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)cc1.COc1ccc(OC)c(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)c1.Nc1ccc(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)cc1.O=C(/C=C/c1cc(F)cc(F)c1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1cc(O)c(O)c(O)c1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1ccc(Cl)cc1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1ccc(F)cc1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1cccc(O)c1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C30H25F2N3O4.C29H23F2N3O3.C28H18F5N3O.C28H21F2N3O3.C28H21F2N3O2.C27H17Cl2F2N3O.C27H18ClF2N3O.C27H17F4N3O.C27H18F3N3O.C27H20F2N4O.C27H19F2N3O4.C27H19F2N3O2/c1-37-25-10-17(11-26(38-2)30(25)39-3)8-9-27(36)33-16-21-15-23-22-6-4-5-7-24(22)35-29(23)28(34-21)18-12-19(31)14-20(32)13-18;1-36-22-8-9-26(37-2)17(13-22)7-10-27(35)32-16-21-15-24-23-5-3-4-6-25(23)34-29(24)28(33-21)18-11-19(30)14-20(31)12-18;29-19-11-17(12-20(30)13-19)26-27-23(22-3-1-2-4-24(22)36-27)14-21(35-26)15-34-25(37)10-7-16-5-8-18(9-6-16)28(31,32)33;1-36-25-10-16(6-8-24(25)34)7-9-26(35)31-15-20-14-22-21-4-2-3-5-23(21)33-28(22)27(32-20)17-11-18(29)13-19(30)12-17;1-35-22-9-6-17(7-10-22)8-11-26(34)31-16-21-15-24-23-4-2-3-5-25(23)33-28(24)27(32-21)18-12-19(29)14-20(30)13-18;28-22-7-5-15(9-23(22)29)6-8-25(35)32-14-19-13-21-20-3-1-2-4-24(20)34-27(21)26(33-19)16-10-17(30)12-18(31)11-16;28-18-8-5-16(6-9-18)7-10-25(34)31-15-21-14-23-22-3-1-2-4-24(22)33-27(23)26(32-21)17-11-19(29)13-20(30)12-17;28-17-7-15(8-18(29)11-17)5-6-25(35)32-14-21-13-23-22-3-1-2-4-24(22)34-27(23)26(33-21)16-9-19(30)12-20(31)10-16;28-18-8-5-16(6-9-18)7-10-25(34)31-15-21-14-23-22-3-1-2-4-24(22)33-27(23)26(32-21)17-11-19(29)13-20(30)12-17;28-18-11-17(12-19(29)13-18)26-27-23(22-3-1-2-4-24(22)33-27)14-21(32-26)15-31-25(34)10-7-16-5-8-20(30)9-6-16;28-16-9-15(10-17(29)11-16)25-26-20(19-3-1-2-4-21(19)32-26)12-18(31-25)13-30-24(35)6-5-14-7-22(33)27(36)23(34)8-14;28-18-11-17(12-19(29)13-18)26-27-23(22-6-1-2-7-24(22)32-27)14-20(31-26)15-30-25(34)9-8-16-4-3-5-21(33)10-16/h4-15,35H,16H2,1-3H3,(H,33,36);3-15,34H,16H2,1-2H3,(H,32,35);1-14,36H,15H2,(H,34,37);2-14,33-34H,15H2,1H3,(H,31,35);2-15,33H,16H2,1H3,(H,31,34);1-13,34H,14H2,(H,32,35);1-14,33H,15H2,(H,31,34);1-13,34H,14H2,(H,32,35);1-14,33H,15H2,(H,31,34);1-14,33H,15,30H2,(H,31,34);1-12,32-34,36H,13H2,(H,30,35);1-14,32-33H,15H2,(H,30,34)/b9-8+;2*10-7+;9-7+;11-8+;8-6+;10-7+;6-5+;2*10-7+;6-5+;9-8+
InChIKeyMUCIPVLKMJTUNX-AXIBVTQMSA-N
XLogP73.46
TPSA885.14 Ų
H-Bond Donors30
H-Bond Acceptors37
Rotatable Bonds67
Heavy Atoms426
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005804.07
LogP ≤ 573.46
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1037

Analyze (E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide with MolForge

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Related Compounds

(E)-N-[[1-[4-(trifluoromethyl)phenyl]-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 130247495
(E)-N-[[1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide
CID 137243907
(E)-N-[[1-(4-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 130247492
(E)-N-[[1-(4-hydroxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 137243933
3-[(1E)-3-[[1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methylamino]buta-1,3-dienyl]phenol
CID 130269600
(E)-3-(3,5-difluorophenyl)-N-[[1-(3-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide
CID 130247667
(E)-3-(3-hydroxyphenyl)-N-[[1-(4-hydroxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide
CID 137243925
(E)-3-(4-fluorophenyl)-N-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methyl]prop-2-enamide
CID 164615151
3-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 4820287
(E)-N-[(3-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 9495702
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7959642
(E)-N-[[9-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide
CID 130247832

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 159671912) is (E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)cc(OC)c1OC.COc1cc(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)ccc1O.COc1ccc(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)cc1.COc1ccc(OC)c(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)c1.Nc1ccc(/C=C/C(=O)NCc2cc3c([nH]c4ccccc43)c(-c3cc(F)cc(F)c3)n2)cc1.O=C(/C=C/c1cc(F)cc(F)c1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1cc(O)c(O)c(O)c1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1ccc(Cl)cc1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1ccc(F)cc1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.O=C(/C=C/c1cccc(O)c1)NCc1cc2c([nH]c3ccccc32)c(-c2cc(F)cc(F)c2)n1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is MUCIPVLKMJTUNX-AXIBVTQMSA-N. The full InChI is InChI=1S/C30H25F2N3O4.C29H23F2N3O3.C28H18F5N3O.C28H21F2N3O3.C28H21F2N3O2.C27H17Cl2F2N3O.C27H18ClF2N3O.C27H17F4N3O.C27H18F3N3O.C27H20F2N4O.C27H19F2N3O4.C27H19F2N3O2/c1-37-25-10-17(11-26(38-2)30(25)39-3)8-9-27(36)33-16-21-15-23-22-6-4-5-7-24(22)35-29(23)28(34-21)18-12-19(31)14-20(32)13-18;1-36-22-8-9-26(37-2)17(13-22)7-10-27(35)32-16-21-15-24-23-5-3-4-6-25(23)34-29(24)28(33-21)18-11-19(30)14-20(31)12-18;29-19-11-17(12-20(30)13-19)26-27-23(22-3-1-2-4-24(22)36-27)14-21(35-26)15-34-25(37)10-7-16-5-8-18(9-6-16)28(31,32)33;1-36-25-10-16(6-8-24(25)34)7-9-26(35)31-15-20-14-22-21-4-2-3-5-23(21)33-28(22)27(32-20)17-11-18(29)13-19(30)12-17;1-35-22-9-6-17(7-10-22)8-11-26(34)31-16-21-15-24-23-4-2-3-5-25(23)33-28(24)27(32-21)18-12-19(29)14-20(30)13-18;28-22-7-5-15(9-23(22)29)6-8-25(35)32-14-19-13-21-20-3-1-2-4-24(20)34-27(21)26(33-19)16-10-17(30)12-18(31)11-16;28-18-8-5-16(6-9-18)7-10-25(34)31-15-21-14-23-22-3-1-2-4-24(22)33-27(23)26(32-21)17-11-19(29)13-20(30)12-17;28-17-7-15(8-18(29)11-17)5-6-25(35)32-14-21-13-23-22-3-1-2-4-24(22)34-27(23)26(33-21)16-9-19(30)12-20(31)10-16;28-18-8-5-16(6-9-18)7-10-25(34)31-15-21-14-23-22-3-1-2-4-24(22)33-27(23)26(32-21)17-11-19(29)13-20(30)12-17;28-18-11-17(12-19(29)13-18)26-27-23(22-3-1-2-4-24(22)33-27)14-21(32-26)15-31-25(34)10-7-16-5-8-20(30)9-6-16;28-16-9-15(10-17(29)11-16)25-26-20(19-3-1-2-4-21(19)32-26)12-18(31-25)13-30-24(35)6-5-14-7-22(33)27(36)23(34)8-14;28-18-11-17(12-19(29)13-18)26-27-23(22-6-1-2-7-24(22)32-27)14-20(31-26)15-30-25(34)9-8-16-4-3-5-21(33)10-16/h4-15,35H,16H2,1-3H3,(H,33,36);3-15,34H,16H2,1-2H3,(H,32,35);1-14,36H,15H2,(H,34,37);2-14,33-34H,15H2,1H3,(H,31,35);2-15,33H,16H2,1H3,(H,31,34);1-13,34H,14H2,(H,32,35);1-14,33H,15H2,(H,31,34);1-13,34H,14H2,(H,32,35);1-14,33H,15H2,(H,31,34);1-14,33H,15,30H2,(H,31,34);1-12,32-34,36H,13H2,(H,30,35);1-14,32-33H,15H2,(H,30,34)/b9-8+;2*10-7+;9-7+;11-8+;8-6+;10-7+;6-5+;2*10-7+;6-5+;9-8+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 5804.07 g/mol, XLogP of 73.46, 67 rotatable bonds, 30 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(4-chlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,4-dichlorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-3-(3,5-difluorophenyl)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-fluorophenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3-hydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(4-methoxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide;(E)-N-[[1-(3,5-difluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 159671912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).