N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide

C267H368F16N56O33 — CID 167702308

IUPACN-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide
SMILESCCC(=O)NC(Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN(Cc2cccnc2)CC1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)C2CCN(C(C)=O)CC2)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C(F)(F)F)CC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC(C)C)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC(F)(F)F)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN(C(C)C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)[C@@H](C)c2ccccc2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](NC(=O)CC2CC2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C36H47FN8O4.C35H51F3N6O5.C33H45F4N7O4.C33H46FN7O4.C33H48FN7O4.C33H42FN7O4.C33H48FN7O4.C31H41F4N7O4/c1-3-32(46)40-30(36(49)44-19-17-43(18-20-44)24-26-9-8-15-38-23-26)22-25-12-13-29(28(37)21-25)41-35(48)33(27-10-6-5-7-11-27)42-34(47)31-14-16-39-45(31)4-2;1-5-29(46)40-30(33(48)44-19-17-42(4)18-20-44)22(2)25-11-12-28(27(36)21-25)39-32(47)31(24-9-7-6-8-10-24)41-34(49)35(37,38)26-13-15-43(16-14-26)23(3)45;1-5-27(45)40-28(32(48)43-17-15-42(4)16-18-43)20(3)22-9-12-25(24(34)19-22)39-31(47)29(21-7-10-23(11-8-21)33(35,36)37)41-30(46)26-13-14-38-44(26)6-2;1-3-41-28(13-14-35-41)31(43)38-30(24-7-5-4-6-8-24)32(44)37-26-12-11-23(19-25(26)34)20-27(36-29(42)21-22-9-10-22)33(45)40-17-15-39(2)16-18-40;1-5-29(42)36-27(33(45)40-17-15-39(4)16-18-40)20-23-11-12-26(25(34)19-23)37-32(44)30(24-9-7-6-8-10-24)38-31(43)28-13-14-35-41(28)21-22(2)3;1-5-29(42)36-27(33(45)40-18-16-39(4)17-19-40)21-23-12-13-26(25(34)20-23)37-32(44)30(22(3)24-10-8-7-9-11-24)38-31(43)28-14-15-35-41(28)6-2;1-5-29(42)36-27(33(45)40-18-16-39(17-19-40)22(3)4)21-23-12-13-26(25(34)20-23)37-32(44)30(24-10-8-7-9-11-24)38-31(43)28-14-15-35-41(28)6-2;1-3-26(43)37-24(30(46)41-15-13-40(2)14-16-41)18-20-9-10-23(22(32)17-20)38-29(45)27(21-7-5-4-6-8-21)39-28(44)25-11-12-36-42(25)19-31(33,34)35/h8-9,12-16,21,23,27,30,33H,3-7,10-11,17-20,22,24H2,1-2H3,(H,40,46)(H,41,48)(H,42,47);11-12,21-22,24,26,30-31H,5-10,13-20H2,1-4H3,(H,39,47)(H,40,46)(H,41,49);9,12-14,19-21,23,28-29H,5-8,10-11,15-18H2,1-4H3,(H,39,47)(H,40,45)(H,41,46);11-14,19,22,24,27,30H,3-10,15-18,20-21H2,1-2H3,(H,36,42)(H,37,44)(H,38,43);11-14,19,22,24,27,30H,5-10,15-18,20-21H2,1-4H3,(H,36,42)(H,37,44)(H,38,43);7-15,20,22,27,30H,5-6,16-19,21H2,1-4H3,(H,36,42)(H,37,44)(H,38,43);12-15,20,22,24,27,30H,5-11,16-19,21H2,1-4H3,(H,36,42)(H,37,44)(H,38,43);9-12,17,21,24,27H,3-8,13-16,18-19H2,1-2H3,(H,37,43)(H,38,45)(H,39,44)/t30?,33-;22-,30+,31-;20-,21?,23?,28+,29-;2*27-,30+;22-,27+,30-;27-,30+;24-,27+/m00011011/s1
InChIKeyYORBRFLRCDIFCF-ZQQDXKOUSA-N
MW5194.21 g/mol
LogP26.38
Rot. Bonds94

About N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide

N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide (PubChem CID 167702308) has the molecular formula C267H368F16N56O33 and a molecular weight of 5194.21 g/mol. Its IUPAC name is N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide
PubChem CID167702308
Molecular FormulaC267H368F16N56O33
Molecular Weight5194.21 g/mol
Exact Mass5190.86
IUPAC NameN-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide
SMILESCCC(=O)NC(Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN(Cc2cccnc2)CC1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)C2CCN(C(C)=O)CC2)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C(F)(F)F)CC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC(C)C)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC(F)(F)F)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN(C(C)C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)[C@@H](C)c2ccccc2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](NC(=O)CC2CC2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C36H47FN8O4.C35H51F3N6O5.C33H45F4N7O4.C33H46FN7O4.C33H48FN7O4.C33H42FN7O4.C33H48FN7O4.C31H41F4N7O4/c1-3-32(46)40-30(36(49)44-19-17-43(18-20-44)24-26-9-8-15-38-23-26)22-25-12-13-29(28(37)21-25)41-35(48)33(27-10-6-5-7-11-27)42-34(47)31-14-16-39-45(31)4-2;1-5-29(46)40-30(33(48)44-19-17-42(4)18-20-44)22(2)25-11-12-28(27(36)21-25)39-32(47)31(24-9-7-6-8-10-24)41-34(49)35(37,38)26-13-15-43(16-14-26)23(3)45;1-5-27(45)40-28(32(48)43-17-15-42(4)16-18-43)20(3)22-9-12-25(24(34)19-22)39-31(47)29(21-7-10-23(11-8-21)33(35,36)37)41-30(46)26-13-14-38-44(26)6-2;1-3-41-28(13-14-35-41)31(43)38-30(24-7-5-4-6-8-24)32(44)37-26-12-11-23(19-25(26)34)20-27(36-29(42)21-22-9-10-22)33(45)40-17-15-39(2)16-18-40;1-5-29(42)36-27(33(45)40-17-15-39(4)16-18-40)20-23-11-12-26(25(34)19-23)37-32(44)30(24-9-7-6-8-10-24)38-31(43)28-13-14-35-41(28)21-22(2)3;1-5-29(42)36-27(33(45)40-18-16-39(4)17-19-40)21-23-12-13-26(25(34)20-23)37-32(44)30(22(3)24-10-8-7-9-11-24)38-31(43)28-14-15-35-41(28)6-2;1-5-29(42)36-27(33(45)40-18-16-39(17-19-40)22(3)4)21-23-12-13-26(25(34)20-23)37-32(44)30(24-10-8-7-9-11-24)38-31(43)28-14-15-35-41(28)6-2;1-3-26(43)37-24(30(46)41-15-13-40(2)14-16-41)18-20-9-10-23(22(32)17-20)38-29(45)27(21-7-5-4-6-8-21)39-28(44)25-11-12-36-42(25)19-31(33,34)35/h8-9,12-16,21,23,27,30,33H,3-7,10-11,17-20,22,24H2,1-2H3,(H,40,46)(H,41,48)(H,42,47);11-12,21-22,24,26,30-31H,5-10,13-20H2,1-4H3,(H,39,47)(H,40,46)(H,41,49);9,12-14,19-21,23,28-29H,5-8,10-11,15-18H2,1-4H3,(H,39,47)(H,40,45)(H,41,46);11-14,19,22,24,27,30H,3-10,15-18,20-21H2,1-2H3,(H,36,42)(H,37,44)(H,38,43);11-14,19,22,24,27,30H,5-10,15-18,20-21H2,1-4H3,(H,36,42)(H,37,44)(H,38,43);7-15,20,22,27,30H,5-6,16-19,21H2,1-4H3,(H,36,42)(H,37,44)(H,38,43);12-15,20,22,24,27,30H,5-11,16-19,21H2,1-4H3,(H,36,42)(H,37,44)(H,38,43);9-12,17,21,24,27H,3-8,13-16,18-19H2,1-2H3,(H,37,43)(H,38,45)(H,39,44)/t30?,33-;22-,30+,31-;20-,21?,23?,28+,29-;2*27-,30+;22-,27+,30-;27-,30+;24-,27+/m00011011/s1
InChIKeyYORBRFLRCDIFCF-ZQQDXKOUSA-N
XLogP26.38
TPSA1044.74 Ų
H-Bond Donors24
H-Bond Acceptors56
Rotatable Bonds94
Heavy Atoms372
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005194.21
LogP ≤ 526.38
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1056

Analyze N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide (CID 167702308) is N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide is CCC(=O)NC(Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN(Cc2cccnc2)CC1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)C2CCN(C(C)=O)CC2)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C(F)(F)F)CC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC(C)C)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC(F)(F)F)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN(C(C)C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)[C@@H](C)c2ccccc2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](NC(=O)CC2CC2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.
What is the InChIKey of N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide?
The InChIKey is YORBRFLRCDIFCF-ZQQDXKOUSA-N. The full InChI is InChI=1S/C36H47FN8O4.C35H51F3N6O5.C33H45F4N7O4.C33H46FN7O4.C33H48FN7O4.C33H42FN7O4.C33H48FN7O4.C31H41F4N7O4/c1-3-32(46)40-30(36(49)44-19-17-43(18-20-44)24-26-9-8-15-38-23-26)22-25-12-13-29(28(37)21-25)41-35(48)33(27-10-6-5-7-11-27)42-34(47)31-14-16-39-45(31)4-2;1-5-29(46)40-30(33(48)44-19-17-42(4)18-20-44)22(2)25-11-12-28(27(36)21-25)39-32(47)31(24-9-7-6-8-10-24)41-34(49)35(37,38)26-13-15-43(16-14-26)23(3)45;1-5-27(45)40-28(32(48)43-17-15-42(4)16-18-43)20(3)22-9-12-25(24(34)19-22)39-31(47)29(21-7-10-23(11-8-21)33(35,36)37)41-30(46)26-13-14-38-44(26)6-2;1-3-41-28(13-14-35-41)31(43)38-30(24-7-5-4-6-8-24)32(44)37-26-12-11-23(19-25(26)34)20-27(36-29(42)21-22-9-10-22)33(45)40-17-15-39(2)16-18-40;1-5-29(42)36-27(33(45)40-17-15-39(4)16-18-40)20-23-11-12-26(25(34)19-23)37-32(44)30(24-9-7-6-8-10-24)38-31(43)28-13-14-35-41(28)21-22(2)3;1-5-29(42)36-27(33(45)40-18-16-39(4)17-19-40)21-23-12-13-26(25(34)20-23)37-32(44)30(22(3)24-10-8-7-9-11-24)38-31(43)28-14-15-35-41(28)6-2;1-5-29(42)36-27(33(45)40-18-16-39(17-19-40)22(3)4)21-23-12-13-26(25(34)20-23)37-32(44)30(24-10-8-7-9-11-24)38-31(43)28-14-15-35-41(28)6-2;1-3-26(43)37-24(30(46)41-15-13-40(2)14-16-41)18-20-9-10-23(22(32)17-20)38-29(45)27(21-7-5-4-6-8-21)39-28(44)25-11-12-36-42(25)19-31(33,34)35/h8-9,12-16,21,23,27,30,33H,3-7,10-11,17-20,22,24H2,1-2H3,(H,40,46)(H,41,48)(H,42,47);11-12,21-22,24,26,30-31H,5-10,13-20H2,1-4H3,(H,39,47)(H,40,46)(H,41,49);9,12-14,19-21,23,28-29H,5-8,10-11,15-18H2,1-4H3,(H,39,47)(H,40,45)(H,41,46);11-14,19,22,24,27,30H,3-10,15-18,20-21H2,1-2H3,(H,36,42)(H,37,44)(H,38,43);11-14,19,22,24,27,30H,5-10,15-18,20-21H2,1-4H3,(H,36,42)(H,37,44)(H,38,43);7-15,20,22,27,30H,5-6,16-19,21H2,1-4H3,(H,36,42)(H,37,44)(H,38,43);12-15,20,22,24,27,30H,5-11,16-19,21H2,1-4H3,(H,36,42)(H,37,44)(H,38,43);9-12,17,21,24,27H,3-8,13-16,18-19H2,1-2H3,(H,37,43)(H,38,45)(H,39,44)/t30?,33-;22-,30+,31-;20-,21?,23?,28+,29-;2*27-,30+;22-,27+,30-;27-,30+;24-,27+/m00011011/s1.
What are the key properties of N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide?
N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide has a molecular weight of 5194.21 g/mol, XLogP of 26.38, 94 rotatable bonds, 24 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(1-acetylpiperidin-4-yl)-2,2-difluoroacetyl]amino]-2-cyclohexylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2-methylpropyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-oxo-2-(propanoylamino)-3-(4-propan-2-ylpiperazin-1-yl)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[3-oxo-2-(propanoylamino)-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide;2-ethyl-N-[(2S,3S)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxo-3-phenylbutan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 167702308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).