(2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide

C253H319F15N46O35S5 — CID 161426913

IUPAC(2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(CC(=O)C(F)(F)C23CC(C2)C3)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)C(=O)c2ccc(NS(C)(=O)=O)nc2)C2CCCCCC2)c(F)c1.CCn1nccc1C(=O)CC(C(=O)Nc1ccc(C[C@@H](NC(=O)c2ccnn2C2=CCC(=O)C=C2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cc(C#N)cs2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.COc1ccc(C(F)(F)C(=O)C[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.COc1ccc(C(F)(F)C(=O)C[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnsc3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.COc1ncc(C(F)(F)C(=O)C[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1
InChIInChI=1S/C39H47FN8O5.C37H45F3N6O5S.C36H44F3N7O5S.C36H44FN7O4S.C36H49FN6O7S.C35H43F3N8O5S.C34H47F3N4O4/c1-3-47-34(15-17-41-47)36(50)25-30(27-7-5-4-6-8-27)37(51)43-32-14-9-26(23-31(32)40)24-33(39(53)46-21-19-45(2)20-22-46)44-38(52)35-16-18-42-48(35)28-10-12-29(49)13-11-28;1-22-5-7-24(8-6-22)28(18-31(47)37(39,40)27-10-12-32(51-4)41-20-27)35(49)43-30-11-9-25(17-29(30)38)23(2)33(44-34(48)26-19-42-52-21-26)36(50)46-15-13-45(3)14-16-46;1-21-5-7-23(8-6-21)26(18-30(47)36(38,39)25-10-12-31(51-4)40-19-25)33(48)42-28-11-9-24(17-27(28)37)22(2)32(43-34(49)29-20-41-44-52-29)35(50)46-15-13-45(3)14-16-46;1-4-44-30(12-13-39-44)31(45)20-27(25-8-6-5-7-9-25)34(46)40-29-11-10-26(19-28(29)37)23(2)33(36(48)43-16-14-42(3)15-17-43)41-35(47)32-18-24(21-38)22-49-32;1-5-32(45)40-33(36(48)43-18-16-42(3)17-19-43)23(2)25-12-14-29(28(37)20-25)39-35(47)27(24-10-8-6-7-9-11-24)21-30(44)34(46)26-13-15-31(38-22-26)41-51(4,49)50;1-20-5-7-22(8-6-20)25(16-29(47)35(37,38)24-17-39-34(51-4)40-18-24)31(48)42-27-10-9-23(15-26(27)36)21(2)30(43-32(49)28-19-41-44-52-28)33(50)46-13-11-45(3)12-14-46;1-4-29(43)39-30(32(45)41-14-12-40(3)13-15-41)21(2)24-10-11-27(26(35)16-24)38-31(44)25(23-8-6-5-7-9-23)17-28(42)34(36,37)33-18-22(19-33)20-33/h9-12,14-18,23,27,30,33H,3-8,13,19-22,24-25H2,1-2H3,(H,43,51)(H,44,52);9-12,17,19-24,28,33H,5-8,13-16,18H2,1-4H3,(H,43,49)(H,44,48);9-12,17,19-23,26,32H,5-8,13-16,18H2,1-4H3,(H,42,48)(H,43,49);10-13,18-19,22-23,25,27,33H,4-9,14-17,20H2,1-3H3,(H,40,46)(H,41,47);12-15,20,22-24,27,33H,5-11,16-19,21H2,1-4H3,(H,38,41)(H,39,47)(H,40,45);9-10,15,17-22,25,30H,5-8,11-14,16H2,1-4H3,(H,42,48)(H,43,49);10-11,16,21-23,25,30H,4-9,12-15,17-20H2,1-3H3,(H,38,44)(H,39,43)/t30?,33-;22?,23-,24?,28-,33+;21?,22-,23?,26-,32+;2*23-,27-,33+;20?,21-,22?,25-,30+;21-,22?,25?,30+,33?/m1000000/s1
InChIKeyVXMCQEXTUBVQKG-UWZSASALSA-N
MW5009.93 g/mol
LogP32.72
Rot. Bonds90

About (2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide

(2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide (PubChem CID 161426913) has the molecular formula C253H319F15N46O35S5 and a molecular weight of 5009.93 g/mol. Its IUPAC name is (2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name(2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide
PubChem CID161426913
Molecular FormulaC253H319F15N46O35S5
Molecular Weight5009.93 g/mol
Exact Mass5006.30
IUPAC Name(2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(CC(=O)C(F)(F)C23CC(C2)C3)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)C(=O)c2ccc(NS(C)(=O)=O)nc2)C2CCCCCC2)c(F)c1.CCn1nccc1C(=O)CC(C(=O)Nc1ccc(C[C@@H](NC(=O)c2ccnn2C2=CCC(=O)C=C2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cc(C#N)cs2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.COc1ccc(C(F)(F)C(=O)C[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.COc1ccc(C(F)(F)C(=O)C[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnsc3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.COc1ncc(C(F)(F)C(=O)C[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1
InChIInChI=1S/C39H47FN8O5.C37H45F3N6O5S.C36H44F3N7O5S.C36H44FN7O4S.C36H49FN6O7S.C35H43F3N8O5S.C34H47F3N4O4/c1-3-47-34(15-17-41-47)36(50)25-30(27-7-5-4-6-8-27)37(51)43-32-14-9-26(23-31(32)40)24-33(39(53)46-21-19-45(2)20-22-46)44-38(52)35-16-18-42-48(35)28-10-12-29(49)13-11-28;1-22-5-7-24(8-6-22)28(18-31(47)37(39,40)27-10-12-32(51-4)41-20-27)35(49)43-30-11-9-25(17-29(30)38)23(2)33(44-34(48)26-19-42-52-21-26)36(50)46-15-13-45(3)14-16-46;1-21-5-7-23(8-6-21)26(18-30(47)36(38,39)25-10-12-31(51-4)40-19-25)33(48)42-28-11-9-24(17-27(28)37)22(2)32(43-34(49)29-20-41-44-52-29)35(50)46-15-13-45(3)14-16-46;1-4-44-30(12-13-39-44)31(45)20-27(25-8-6-5-7-9-25)34(46)40-29-11-10-26(19-28(29)37)23(2)33(36(48)43-16-14-42(3)15-17-43)41-35(47)32-18-24(21-38)22-49-32;1-5-32(45)40-33(36(48)43-18-16-42(3)17-19-43)23(2)25-12-14-29(28(37)20-25)39-35(47)27(24-10-8-6-7-9-11-24)21-30(44)34(46)26-13-15-31(38-22-26)41-51(4,49)50;1-20-5-7-22(8-6-20)25(16-29(47)35(37,38)24-17-39-34(51-4)40-18-24)31(48)42-27-10-9-23(15-26(27)36)21(2)30(43-32(49)28-19-41-44-52-28)33(50)46-13-11-45(3)12-14-46;1-4-29(43)39-30(32(45)41-14-12-40(3)13-15-41)21(2)24-10-11-27(26(35)16-24)38-31(44)25(23-8-6-5-7-9-23)17-28(42)34(36,37)33-18-22(19-33)20-33/h9-12,14-18,23,27,30,33H,3-8,13,19-22,24-25H2,1-2H3,(H,43,51)(H,44,52);9-12,17,19-24,28,33H,5-8,13-16,18H2,1-4H3,(H,43,49)(H,44,48);9-12,17,19-23,26,32H,5-8,13-16,18H2,1-4H3,(H,42,48)(H,43,49);10-13,18-19,22-23,25,27,33H,4-9,14-17,20H2,1-3H3,(H,40,46)(H,41,47);12-15,20,22-24,27,33H,5-11,16-19,21H2,1-4H3,(H,38,41)(H,39,47)(H,40,45);9-10,15,17-22,25,30H,5-8,11-14,16H2,1-4H3,(H,42,48)(H,43,49);10-11,16,21-23,25,30H,4-9,12-15,17-20H2,1-3H3,(H,38,44)(H,39,43)/t30?,33-;22?,23-,24?,28-,33+;21?,22-,23?,26-,32+;2*23-,27-,33+;20?,21-,22?,25-,30+;21-,22?,25?,30+,33?/m1000000/s1
InChIKeyVXMCQEXTUBVQKG-UWZSASALSA-N
XLogP32.72
TPSA1005.89 Ų
H-Bond Donors15
H-Bond Acceptors63
Rotatable Bonds90
Heavy Atoms354
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005009.93
LogP ≤ 532.72
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1063

Analyze (2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of (2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide (CID 161426913) is (2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for (2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for (2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide is CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(CC(=O)C(F)(F)C23CC(C2)C3)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)C(=O)c2ccc(NS(C)(=O)=O)nc2)C2CCCCCC2)c(F)c1.CCn1nccc1C(=O)CC(C(=O)Nc1ccc(C[C@@H](NC(=O)c2ccnn2C2=CCC(=O)C=C2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cc(C#N)cs2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.COc1ccc(C(F)(F)C(=O)C[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.COc1ccc(C(F)(F)C(=O)C[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnsc3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.COc1ncc(C(F)(F)C(=O)C[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.
What is the InChIKey of (2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide?
The InChIKey is VXMCQEXTUBVQKG-UWZSASALSA-N. The full InChI is InChI=1S/C39H47FN8O5.C37H45F3N6O5S.C36H44F3N7O5S.C36H44FN7O4S.C36H49FN6O7S.C35H43F3N8O5S.C34H47F3N4O4/c1-3-47-34(15-17-41-47)36(50)25-30(27-7-5-4-6-8-27)37(51)43-32-14-9-26(23-31(32)40)24-33(39(53)46-21-19-45(2)20-22-46)44-38(52)35-16-18-42-48(35)28-10-12-29(49)13-11-28;1-22-5-7-24(8-6-22)28(18-31(47)37(39,40)27-10-12-32(51-4)41-20-27)35(49)43-30-11-9-25(17-29(30)38)23(2)33(44-34(48)26-19-42-52-21-26)36(50)46-15-13-45(3)14-16-46;1-21-5-7-23(8-6-21)26(18-30(47)36(38,39)25-10-12-31(51-4)40-19-25)33(48)42-28-11-9-24(17-27(28)37)22(2)32(43-34(49)29-20-41-44-52-29)35(50)46-15-13-45(3)14-16-46;1-4-44-30(12-13-39-44)31(45)20-27(25-8-6-5-7-9-25)34(46)40-29-11-10-26(19-28(29)37)23(2)33(36(48)43-16-14-42(3)15-17-43)41-35(47)32-18-24(21-38)22-49-32;1-5-32(45)40-33(36(48)43-18-16-42(3)17-19-43)23(2)25-12-14-29(28(37)20-25)39-35(47)27(24-10-8-6-7-9-11-24)21-30(44)34(46)26-13-15-31(38-22-26)41-51(4,49)50;1-20-5-7-22(8-6-20)25(16-29(47)35(37,38)24-17-39-34(51-4)40-18-24)31(48)42-27-10-9-23(15-26(27)36)21(2)30(43-32(49)28-19-41-44-52-28)33(50)46-13-11-45(3)12-14-46;1-4-29(43)39-30(32(45)41-14-12-40(3)13-15-41)21(2)24-10-11-27(26(35)16-24)38-31(44)25(23-8-6-5-7-9-23)17-28(42)34(36,37)33-18-22(19-33)20-33/h9-12,14-18,23,27,30,33H,3-8,13,19-22,24-25H2,1-2H3,(H,43,51)(H,44,52);9-12,17,19-24,28,33H,5-8,13-16,18H2,1-4H3,(H,43,49)(H,44,48);9-12,17,19-23,26,32H,5-8,13-16,18H2,1-4H3,(H,42,48)(H,43,49);10-13,18-19,22-23,25,27,33H,4-9,14-17,20H2,1-3H3,(H,40,46)(H,41,47);12-15,20,22-24,27,33H,5-11,16-19,21H2,1-4H3,(H,38,41)(H,39,47)(H,40,45);9-10,15,17-22,25,30H,5-8,11-14,16H2,1-4H3,(H,42,48)(H,43,49);10-11,16,21-23,25,30H,4-9,12-15,17-20H2,1-3H3,(H,38,44)(H,39,43)/t30?,33-;22?,23-,24?,28-,33+;21?,22-,23?,26-,32+;2*23-,27-,33+;20?,21-,22?,25-,30+;21-,22?,25?,30+,33?/m1000000/s1.
What are the key properties of (2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide?
(2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide has a molecular weight of 5009.93 g/mol, XLogP of 32.72, 90 rotatable bonds, 15 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(1-bicyclo[1.1.1]pentanyl)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxopentanamide;4-cyano-N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiophene-2-carboxamide;(2S)-2-cycloheptyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-[6-(methanesulfonamido)-3-pyridinyl]-4,5-dioxopentanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-4-oxobutanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-2-(4-oxocyclohexa-1,5-dien-1-yl)pyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(6-methoxy-3-pyridinyl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-1,2-thiazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-5,5-difluoro-5-(2-methoxypyrimidin-5-yl)-2-(4-methylcyclohexyl)-4-oxopentanoyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 161426913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).