(E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide

C422H422Cl3F2N57O24S2 — CID 160700634

IUPAC(E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide
SMILESCCc1cn2cc(/C=C/C(=O)Nc3ccccc3N)sc2n1.CN(CCCn1cc(/C=C/C(=O)Cc2ccccc2N)cn1)c1ccccc1.Cc1ccc(CC(=O)/C=C/c2cnn(CCOc3ccccc3)c2)c(N)c1.Cc1ccccc1NC(=O)/C=C/c1c(C)nn(C/C=C/c2ccccc2)c1C.Cc1ccccc1NC(=O)/C=C/c1cnn(CC2CCN(C)CC2)c1.Cc1ccccc1NC(=O)/C=C/c1csc(C/C=C/c2ccccc2)n1.Nc1ccccc1CC(=O)/C=C/c1cnn(CC(F)(F)c2ccccc2)c1.Nc1ccccc1CC(=O)/C=C/c1cnn(CC/C=C/c2ccccc2)c1.Nc1ccccc1CC(=O)/C=C/c1cnn(CCCOc2ccccc2)c1.Nc1ccccc1CC(=O)/C=C/c1cnn(CCOCc2ccccc2)c1.Nc1ccccc1CC(=O)/C=C/c1cnn(CCc2c[nH]c3ccccc23)c1.Nc1ccccc1CC(=O)c1ccc(C=C2CCN(Cc3cccnc3)CC2)c(Cl)c1.Nc1ccccc1CC(=O)c1ccc(C=C2CN(Cc3ccc4cc[nH]c4c3)C2)c(Cl)c1.Nc1ccccc1CC(=O)c1ccc(C=C2CN(Cc3ccc4cc[nH]c4c3)C2)cc1.Nc1ccccc1CC(=O)c1ccc(C=C2CN(Cc3cccnc3)C2)c(Cl)c1.Nc1ccccc1CC(=O)c1ccc(CC2CN(Cc3ccc4cc[nH]c4c3)C2)cc1.Nc1ccccc1NC(=O)c1ccc(/C=C2/CCN(COCc3ccccc3)C(=O)C2)cc1.Nc1ccccc1NC(=O)c1ccc(/C=C2/CCN(Cc3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C27H24ClN3O.C27H27N3O3.C27H27N3O.C27H25N3O.C26H26ClN3O.C26H25N3O2.C24H22ClN3O.C24H25N3O.C23H22N4O.C23H26N4O.C23H23N3O.3C22H23N3O2.C22H20N2OS.C21H19F2N3O.C20H26N4O.C16H16N4OS/c28-24-13-23(27(32)14-22-3-1-2-4-25(22)29)8-7-21(24)11-19-16-31(17-19)15-18-5-6-20-9-10-30-26(20)12-18;28-24-8-4-5-9-25(24)29-27(32)23-12-10-20(11-13-23)16-22-14-15-30(26(31)17-22)19-33-18-21-6-2-1-3-7-21;2*28-25-4-2-1-3-24(25)15-27(31)23-9-5-19(6-10-23)13-21-17-30(18-21)16-20-7-8-22-11-12-29-26(22)14-20;27-24-15-23(26(31)16-22-5-1-2-6-25(22)28)8-7-21(24)14-19-9-12-30(13-10-19)18-20-4-3-11-29-17-20;27-23-8-4-5-9-24(23)28-26(31)22-12-10-19(11-13-22)16-21-14-15-29(25(30)17-21)18-20-6-2-1-3-7-20;25-22-11-21(24(29)12-20-5-1-2-6-23(20)26)8-7-19(22)10-18-15-28(16-18)14-17-4-3-9-27-13-17;1-18-10-7-8-14-23(18)25-24(28)16-15-22-19(2)26-27(20(22)3)17-9-13-21-11-5-4-6-12-21;24-22-7-3-1-5-18(22)13-20(28)10-9-17-14-26-27(16-17)12-11-19-15-25-23-8-4-2-6-21(19)23;1-26(21-9-3-2-4-10-21)14-7-15-27-18-19(17-25-27)12-13-22(28)16-20-8-5-6-11-23(20)24;24-23-12-5-4-11-21(23)16-22(27)14-13-20-17-25-26(18-20)15-7-6-10-19-8-2-1-3-9-19;1-17-7-9-19(22(23)13-17)14-20(26)10-8-18-15-24-25(16-18)11-12-27-21-5-3-2-4-6-21;23-22-10-5-4-7-19(22)15-20(26)12-11-18-16-24-25(17-18)13-6-14-27-21-8-2-1-3-9-21;23-22-9-5-4-8-20(22)14-21(26)11-10-19-15-24-25(16-19)12-13-27-17-18-6-2-1-3-7-18;1-17-8-5-6-12-20(17)24-21(25)15-14-19-16-26-22(23-19)13-7-11-18-9-3-2-4-10-18;22-21(23,18-7-2-1-3-8-18)15-26-14-16(13-25-26)10-11-19(27)12-17-6-4-5-9-20(17)24;1-16-5-3-4-6-19(16)22-20(25)8-7-18-13-21-24(15-18)14-17-9-11-23(2)12-10-17;1-2-11-9-20-10-12(22-16(20)18-11)7-8-15(21)19-14-6-4-3-5-13(14)17/h1-13,30H,14-17,29H2;1-13,16H,14-15,17-19,28H2,(H,29,32);1-12,14,21,29H,13,15-18,28H2;1-14,29H,15-18,28H2;1-8,11,14-15,17H,9-10,12-13,16,18,28H2;1-13,16H,14-15,17-18,27H2,(H,28,31);1-11,13H,12,14-16,26H2;4-16H,17H2,1-3H3,(H,25,28);1-10,14-16,25H,11-13,24H2;2-6,8-13,17-18H,7,14-16,24H2,1H3;1-6,8-14,17-18H,7,15-16,24H2;2-10,13,15-16H,11-12,14,23H2,1H3;1-5,7-12,16-17H,6,13-15,23H2;1-11,15-16H,12-14,17,23H2;2-12,14-16H,13H2,1H3,(H,24,25);1-11,13-14H,12,15,24H2;3-8,13,15,17H,9-12,14H2,1-2H3,(H,22,25);3-10H,2,17H2,1H3,(H,19,21)/b;22-16-;;;;21-16-;;13-9+,16-15+;10-9+;13-12+;10-6+,14-13+;10-8+;12-11+;11-10+;11-7+,15-14+;11-10+;2*8-7+
InChIKeyRQOMLOLKMOVKCS-PTZSKMDTSA-N
MW6884.88 g/mol
LogP79.31
Rot. Bonds121

About (E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide

(E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide (PubChem CID 160700634) has the molecular formula C422H422Cl3F2N57O24S2 and a molecular weight of 6884.88 g/mol. Its IUPAC name is (E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide
PubChem CID160700634
Molecular FormulaC422H422Cl3F2N57O24S2
Molecular Weight6884.88 g/mol
Exact Mass6878.20
IUPAC Name(E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide
SMILESCCc1cn2cc(/C=C/C(=O)Nc3ccccc3N)sc2n1.CN(CCCn1cc(/C=C/C(=O)Cc2ccccc2N)cn1)c1ccccc1.Cc1ccc(CC(=O)/C=C/c2cnn(CCOc3ccccc3)c2)c(N)c1.Cc1ccccc1NC(=O)/C=C/c1c(C)nn(C/C=C/c2ccccc2)c1C.Cc1ccccc1NC(=O)/C=C/c1cnn(CC2CCN(C)CC2)c1.Cc1ccccc1NC(=O)/C=C/c1csc(C/C=C/c2ccccc2)n1.Nc1ccccc1CC(=O)/C=C/c1cnn(CC(F)(F)c2ccccc2)c1.Nc1ccccc1CC(=O)/C=C/c1cnn(CC/C=C/c2ccccc2)c1.Nc1ccccc1CC(=O)/C=C/c1cnn(CCCOc2ccccc2)c1.Nc1ccccc1CC(=O)/C=C/c1cnn(CCOCc2ccccc2)c1.Nc1ccccc1CC(=O)/C=C/c1cnn(CCc2c[nH]c3ccccc23)c1.Nc1ccccc1CC(=O)c1ccc(C=C2CCN(Cc3cccnc3)CC2)c(Cl)c1.Nc1ccccc1CC(=O)c1ccc(C=C2CN(Cc3ccc4cc[nH]c4c3)C2)c(Cl)c1.Nc1ccccc1CC(=O)c1ccc(C=C2CN(Cc3ccc4cc[nH]c4c3)C2)cc1.Nc1ccccc1CC(=O)c1ccc(C=C2CN(Cc3cccnc3)C2)c(Cl)c1.Nc1ccccc1CC(=O)c1ccc(CC2CN(Cc3ccc4cc[nH]c4c3)C2)cc1.Nc1ccccc1NC(=O)c1ccc(/C=C2/CCN(COCc3ccccc3)C(=O)C2)cc1.Nc1ccccc1NC(=O)c1ccc(/C=C2/CCN(Cc3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C27H24ClN3O.C27H27N3O3.C27H27N3O.C27H25N3O.C26H26ClN3O.C26H25N3O2.C24H22ClN3O.C24H25N3O.C23H22N4O.C23H26N4O.C23H23N3O.3C22H23N3O2.C22H20N2OS.C21H19F2N3O.C20H26N4O.C16H16N4OS/c28-24-13-23(27(32)14-22-3-1-2-4-25(22)29)8-7-21(24)11-19-16-31(17-19)15-18-5-6-20-9-10-30-26(20)12-18;28-24-8-4-5-9-25(24)29-27(32)23-12-10-20(11-13-23)16-22-14-15-30(26(31)17-22)19-33-18-21-6-2-1-3-7-21;2*28-25-4-2-1-3-24(25)15-27(31)23-9-5-19(6-10-23)13-21-17-30(18-21)16-20-7-8-22-11-12-29-26(22)14-20;27-24-15-23(26(31)16-22-5-1-2-6-25(22)28)8-7-21(24)14-19-9-12-30(13-10-19)18-20-4-3-11-29-17-20;27-23-8-4-5-9-24(23)28-26(31)22-12-10-19(11-13-22)16-21-14-15-29(25(30)17-21)18-20-6-2-1-3-7-20;25-22-11-21(24(29)12-20-5-1-2-6-23(20)26)8-7-19(22)10-18-15-28(16-18)14-17-4-3-9-27-13-17;1-18-10-7-8-14-23(18)25-24(28)16-15-22-19(2)26-27(20(22)3)17-9-13-21-11-5-4-6-12-21;24-22-7-3-1-5-18(22)13-20(28)10-9-17-14-26-27(16-17)12-11-19-15-25-23-8-4-2-6-21(19)23;1-26(21-9-3-2-4-10-21)14-7-15-27-18-19(17-25-27)12-13-22(28)16-20-8-5-6-11-23(20)24;24-23-12-5-4-11-21(23)16-22(27)14-13-20-17-25-26(18-20)15-7-6-10-19-8-2-1-3-9-19;1-17-7-9-19(22(23)13-17)14-20(26)10-8-18-15-24-25(16-18)11-12-27-21-5-3-2-4-6-21;23-22-10-5-4-7-19(22)15-20(26)12-11-18-16-24-25(17-18)13-6-14-27-21-8-2-1-3-9-21;23-22-9-5-4-8-20(22)14-21(26)11-10-19-15-24-25(16-19)12-13-27-17-18-6-2-1-3-7-18;1-17-8-5-6-12-20(17)24-21(25)15-14-19-16-26-22(23-19)13-7-11-18-9-3-2-4-10-18;22-21(23,18-7-2-1-3-8-18)15-26-14-16(13-25-26)10-11-19(27)12-17-6-4-5-9-20(17)24;1-16-5-3-4-6-19(16)22-20(25)8-7-18-13-21-24(15-18)14-17-9-11-23(2)12-10-17;1-2-11-9-20-10-12(22-16(20)18-11)7-8-15(21)19-14-6-4-3-5-13(14)17/h1-13,30H,14-17,29H2;1-13,16H,14-15,17-19,28H2,(H,29,32);1-12,14,21,29H,13,15-18,28H2;1-14,29H,15-18,28H2;1-8,11,14-15,17H,9-10,12-13,16,18,28H2;1-13,16H,14-15,17-18,27H2,(H,28,31);1-11,13H,12,14-16,26H2;4-16H,17H2,1-3H3,(H,25,28);1-10,14-16,25H,11-13,24H2;2-6,8-13,17-18H,7,14-16,24H2,1H3;1-6,8-14,17-18H,7,15-16,24H2;2-10,13,15-16H,11-12,14,23H2,1H3;1-5,7-12,16-17H,6,13-15,23H2;1-11,15-16H,12-14,17,23H2;2-12,14-16H,13H2,1H3,(H,24,25);1-11,13-14H,12,15,24H2;3-8,13,15,17H,9-12,14H2,1-2H3,(H,22,25);3-10H,2,17H2,1H3,(H,19,21)/b;22-16-;;;;21-16-;;13-9+,16-15+;10-9+;13-12+;10-6+,14-13+;10-8+;12-11+;11-10+;11-7+,15-14+;11-10+;2*8-7+
InChIKeyRQOMLOLKMOVKCS-PTZSKMDTSA-N
XLogP79.31
TPSA1149.47 Ų
H-Bond Donors25
H-Bond Acceptors71
Rotatable Bonds121
Heavy Atoms510
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006884.88
LogP ≤ 579.31
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1071

Analyze (E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide (CID 160700634) is (E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide is CCc1cn2cc(/C=C/C(=O)Nc3ccccc3N)sc2n1.CN(CCCn1cc(/C=C/C(=O)Cc2ccccc2N)cn1)c1ccccc1.Cc1ccc(CC(=O)/C=C/c2cnn(CCOc3ccccc3)c2)c(N)c1.Cc1ccccc1NC(=O)/C=C/c1c(C)nn(C/C=C/c2ccccc2)c1C.Cc1ccccc1NC(=O)/C=C/c1cnn(CC2CCN(C)CC2)c1.Cc1ccccc1NC(=O)/C=C/c1csc(C/C=C/c2ccccc2)n1.Nc1ccccc1CC(=O)/C=C/c1cnn(CC(F)(F)c2ccccc2)c1.Nc1ccccc1CC(=O)/C=C/c1cnn(CC/C=C/c2ccccc2)c1.Nc1ccccc1CC(=O)/C=C/c1cnn(CCCOc2ccccc2)c1.Nc1ccccc1CC(=O)/C=C/c1cnn(CCOCc2ccccc2)c1.Nc1ccccc1CC(=O)/C=C/c1cnn(CCc2c[nH]c3ccccc23)c1.Nc1ccccc1CC(=O)c1ccc(C=C2CCN(Cc3cccnc3)CC2)c(Cl)c1.Nc1ccccc1CC(=O)c1ccc(C=C2CN(Cc3ccc4cc[nH]c4c3)C2)c(Cl)c1.Nc1ccccc1CC(=O)c1ccc(C=C2CN(Cc3ccc4cc[nH]c4c3)C2)cc1.Nc1ccccc1CC(=O)c1ccc(C=C2CN(Cc3cccnc3)C2)c(Cl)c1.Nc1ccccc1CC(=O)c1ccc(CC2CN(Cc3ccc4cc[nH]c4c3)C2)cc1.Nc1ccccc1NC(=O)c1ccc(/C=C2/CCN(COCc3ccccc3)C(=O)C2)cc1.Nc1ccccc1NC(=O)c1ccc(/C=C2/CCN(Cc3ccccc3)C(=O)C2)cc1.
What is the InChIKey of (E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide?
The InChIKey is RQOMLOLKMOVKCS-PTZSKMDTSA-N. The full InChI is InChI=1S/C27H24ClN3O.C27H27N3O3.C27H27N3O.C27H25N3O.C26H26ClN3O.C26H25N3O2.C24H22ClN3O.C24H25N3O.C23H22N4O.C23H26N4O.C23H23N3O.3C22H23N3O2.C22H20N2OS.C21H19F2N3O.C20H26N4O.C16H16N4OS/c28-24-13-23(27(32)14-22-3-1-2-4-25(22)29)8-7-21(24)11-19-16-31(17-19)15-18-5-6-20-9-10-30-26(20)12-18;28-24-8-4-5-9-25(24)29-27(32)23-12-10-20(11-13-23)16-22-14-15-30(26(31)17-22)19-33-18-21-6-2-1-3-7-21;2*28-25-4-2-1-3-24(25)15-27(31)23-9-5-19(6-10-23)13-21-17-30(18-21)16-20-7-8-22-11-12-29-26(22)14-20;27-24-15-23(26(31)16-22-5-1-2-6-25(22)28)8-7-21(24)14-19-9-12-30(13-10-19)18-20-4-3-11-29-17-20;27-23-8-4-5-9-24(23)28-26(31)22-12-10-19(11-13-22)16-21-14-15-29(25(30)17-21)18-20-6-2-1-3-7-20;25-22-11-21(24(29)12-20-5-1-2-6-23(20)26)8-7-19(22)10-18-15-28(16-18)14-17-4-3-9-27-13-17;1-18-10-7-8-14-23(18)25-24(28)16-15-22-19(2)26-27(20(22)3)17-9-13-21-11-5-4-6-12-21;24-22-7-3-1-5-18(22)13-20(28)10-9-17-14-26-27(16-17)12-11-19-15-25-23-8-4-2-6-21(19)23;1-26(21-9-3-2-4-10-21)14-7-15-27-18-19(17-25-27)12-13-22(28)16-20-8-5-6-11-23(20)24;24-23-12-5-4-11-21(23)16-22(27)14-13-20-17-25-26(18-20)15-7-6-10-19-8-2-1-3-9-19;1-17-7-9-19(22(23)13-17)14-20(26)10-8-18-15-24-25(16-18)11-12-27-21-5-3-2-4-6-21;23-22-10-5-4-7-19(22)15-20(26)12-11-18-16-24-25(17-18)13-6-14-27-21-8-2-1-3-9-21;23-22-9-5-4-8-20(22)14-21(26)11-10-19-15-24-25(16-19)12-13-27-17-18-6-2-1-3-7-18;1-17-8-5-6-12-20(17)24-21(25)15-14-19-16-26-22(23-19)13-7-11-18-9-3-2-4-10-18;22-21(23,18-7-2-1-3-8-18)15-26-14-16(13-25-26)10-11-19(27)12-17-6-4-5-9-20(17)24;1-16-5-3-4-6-19(16)22-20(25)8-7-18-13-21-24(15-18)14-17-9-11-23(2)12-10-17;1-2-11-9-20-10-12(22-16(20)18-11)7-8-15(21)19-14-6-4-3-5-13(14)17/h1-13,30H,14-17,29H2;1-13,16H,14-15,17-19,28H2,(H,29,32);1-12,14,21,29H,13,15-18,28H2;1-14,29H,15-18,28H2;1-8,11,14-15,17H,9-10,12-13,16,18,28H2;1-13,16H,14-15,17-18,27H2,(H,28,31);1-11,13H,12,14-16,26H2;4-16H,17H2,1-3H3,(H,25,28);1-10,14-16,25H,11-13,24H2;2-6,8-13,17-18H,7,14-16,24H2,1H3;1-6,8-14,17-18H,7,15-16,24H2;2-10,13,15-16H,11-12,14,23H2,1H3;1-5,7-12,16-17H,6,13-15,23H2;1-11,15-16H,12-14,17,23H2;2-12,14-16H,13H2,1H3,(H,24,25);1-11,13-14H,12,15,24H2;3-8,13,15,17H,9-12,14H2,1-2H3,(H,22,25);3-10H,2,17H2,1H3,(H,19,21)/b;22-16-;;;;21-16-;;13-9+,16-15+;10-9+;13-12+;10-6+,14-13+;10-8+;12-11+;11-10+;11-7+,15-14+;11-10+;2*8-7+.
What are the key properties of (E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide?
(E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide has a molecular weight of 6884.88 g/mol, XLogP of 79.31, 121 rotatable bonds, 25 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-amino-4-methylphenyl)-4-[1-(2-phenoxyethyl)pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-(1-benzyl-2-oxopiperidin-4-ylidene)methyl]benzamide;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[3-chloro-4-[[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]but-3-en-2-one;(E)-N-(2-aminophenyl)-3-(6-ethylimidazo[2,1-b][1,3]thiazol-2-yl)prop-2-enamide;(E)-1-(2-aminophenyl)-4-[1-[2-(1H-indol-3-yl)ethyl]pyrazol-4-yl]but-3-en-2-one;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-ylidene]methyl]phenyl]ethanone;2-(2-aminophenyl)-1-[4-[[1-(1H-indol-6-ylmethyl)azetidin-3-yl]methyl]phenyl]ethanone;(E)-1-(2-aminophenyl)-4-[1-[3-(N-methylanilino)propyl]pyrazol-4-yl]but-3-en-2-one;N-(2-aminophenyl)-4-[(Z)-[2-oxo-1-(phenylmethoxymethyl)piperidin-4-ylidene]methyl]benzamide;(E)-1-(2-aminophenyl)-4-[1-(3-phenoxypropyl)pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-[(E)-4-phenylbut-3-enyl]pyrazol-4-yl]but-3-en-2-one;(E)-1-(2-aminophenyl)-4-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]but-3-en-2-one;(E)-3-[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]-N-(2-methylphenyl)prop-2-enamide;(E)-N-(2-methylphenyl)-3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]prop-2-enamide;(E)-N-(2-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-4-yl]prop-2-enamide is sourced from PubChem (CID 160700634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).