(2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide

C271H347Cl2F14N47O33 — CID 159037518

IUPAC(2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide
SMILESCCC(=O)N[C@H](Cc1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C(F)(F)F)CC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2Cc3ccccc3C2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(CC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(CC(=O)[C@H](Cc2cc(C)cc(C)c2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)C(F)(F)c2ccc(OC)nc2)Cc2ccccc2Cl)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)CC2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)Cc2cccc(Cl)c2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)Cc2ccccc2F)c(F)c1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C35H39ClF3N5O5.C35H43FN6O4.C35H45FN6O4.C34H49FN6O4.C33H40ClFN6O4.C33H44F4N6O4.C33H40F2N6O4.C33H47FN6O4/c1-4-31(46)41-29(34(48)44-15-13-43(2)14-16-44)18-22-9-11-28(27(37)17-22)42-33(47)24(19-23-7-5-6-8-26(23)36)20-30(45)35(38,39)25-10-12-32(49-3)40-21-25;1-4-32(44)38-29(35(46)41-16-14-40(3)15-17-41)19-23-10-11-26(28(36)18-23)22-31(43)33(27-20-24-8-6-7-9-25(24)21-27)39-34(45)30-12-13-37-42(30)5-2;1-6-33(44)38-30(35(46)41-14-12-40(5)13-15-41)20-25-8-9-27(28(36)19-25)22-32(43)29(21-26-17-23(3)16-24(4)18-26)39-34(45)31-10-11-37-42(31)7-2;1-4-32(43)37-29(34(45)40-19-17-39(3)18-20-40)22-25-11-13-26(27(35)21-25)23-31(42)28(14-12-24-9-7-6-8-10-24)38-33(44)30-15-16-36-41(30)5-2;1-4-31(43)37-28(33(45)40-15-13-39(3)14-16-40)20-23-9-10-27(26(35)19-23)38-32(44)24(17-22-7-6-8-25(34)18-22)21-30(42)29-11-12-36-41(29)5-2;1-4-29(45)39-26(32(47)42-16-14-41(3)15-17-42)19-21-6-7-23(25(34)18-21)20-28(44)30(22-8-10-24(11-9-22)33(35,36)37)40-31(46)27-12-13-38-43(27)5-2;1-4-31(43)37-28(33(45)40-16-14-39(3)15-17-40)19-22-10-11-27(26(35)18-22)38-32(44)24(20-23-8-6-7-9-25(23)34)21-30(42)29-12-13-36-41(29)5-2;1-4-31(42)36-28(33(44)39-17-15-38(3)16-18-39)21-24-11-12-27(26(34)20-24)37-32(43)25(19-23-9-7-6-8-10-23)22-30(41)29-13-14-35-40(29)5-2/h5-12,17,21,24,29H,4,13-16,18-20H2,1-3H3,(H,41,46)(H,42,47);6-13,18,27,29,33H,4-5,14-17,19-22H2,1-3H3,(H,38,44)(H,39,45);8-11,16-19,29-30H,6-7,12-15,20-22H2,1-5H3,(H,38,44)(H,39,45);11,13,15-16,21,24,28-29H,4-10,12,14,17-20,22-23H2,1-3H3,(H,37,43)(H,38,44);6-12,18-19,24,28H,4-5,13-17,20-21H2,1-3H3,(H,37,43)(H,38,44);6-7,12-13,18,22,24,26,30H,4-5,8-11,14-17,19-20H2,1-3H3,(H,39,45)(H,40,46);6-13,18,24,28H,4-5,14-17,19-21H2,1-3H3,(H,37,43)(H,38,44);11-14,20,23,25,28H,4-10,15-19,21-22H2,1-3H3,(H,36,42)(H,37,43)/t24-,29-;29-,33+;29-,30+;28-,29+;24-,28-;22?,24?,26-,30+;24-,28-;25-,28-/m11001111/s1
InChIKeyJVQGLPUQNHGJHS-UNBJAPPZSA-N
MW5127.93 g/mol
LogP28.79
Rot. Bonds104

About (2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide

(2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide (PubChem CID 159037518) has the molecular formula C271H347Cl2F14N47O33 and a molecular weight of 5127.93 g/mol. Its IUPAC name is (2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name(2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide
PubChem CID159037518
Molecular FormulaC271H347Cl2F14N47O33
Molecular Weight5127.93 g/mol
Exact Mass5123.61
IUPAC Name(2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide
SMILESCCC(=O)N[C@H](Cc1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C(F)(F)F)CC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2Cc3ccccc3C2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(CC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(CC(=O)[C@H](Cc2cc(C)cc(C)c2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)C(F)(F)c2ccc(OC)nc2)Cc2ccccc2Cl)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)CC2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)Cc2cccc(Cl)c2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)Cc2ccccc2F)c(F)c1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C35H39ClF3N5O5.C35H43FN6O4.C35H45FN6O4.C34H49FN6O4.C33H40ClFN6O4.C33H44F4N6O4.C33H40F2N6O4.C33H47FN6O4/c1-4-31(46)41-29(34(48)44-15-13-43(2)14-16-44)18-22-9-11-28(27(37)17-22)42-33(47)24(19-23-7-5-6-8-26(23)36)20-30(45)35(38,39)25-10-12-32(49-3)40-21-25;1-4-32(44)38-29(35(46)41-16-14-40(3)15-17-41)19-23-10-11-26(28(36)18-23)22-31(43)33(27-20-24-8-6-7-9-25(24)21-27)39-34(45)30-12-13-37-42(30)5-2;1-6-33(44)38-30(35(46)41-14-12-40(5)13-15-41)20-25-8-9-27(28(36)19-25)22-32(43)29(21-26-17-23(3)16-24(4)18-26)39-34(45)31-10-11-37-42(31)7-2;1-4-32(43)37-29(34(45)40-19-17-39(3)18-20-40)22-25-11-13-26(27(35)21-25)23-31(42)28(14-12-24-9-7-6-8-10-24)38-33(44)30-15-16-36-41(30)5-2;1-4-31(43)37-28(33(45)40-15-13-39(3)14-16-40)20-23-9-10-27(26(35)19-23)38-32(44)24(17-22-7-6-8-25(34)18-22)21-30(42)29-11-12-36-41(29)5-2;1-4-29(45)39-26(32(47)42-16-14-41(3)15-17-42)19-21-6-7-23(25(34)18-21)20-28(44)30(22-8-10-24(11-9-22)33(35,36)37)40-31(46)27-12-13-38-43(27)5-2;1-4-31(43)37-28(33(45)40-16-14-39(3)15-17-40)19-22-10-11-27(26(35)18-22)38-32(44)24(20-23-8-6-7-9-25(23)34)21-30(42)29-12-13-36-41(29)5-2;1-4-31(42)36-28(33(44)39-17-15-38(3)16-18-39)21-24-11-12-27(26(34)20-24)37-32(43)25(19-23-9-7-6-8-10-23)22-30(41)29-13-14-35-40(29)5-2/h5-12,17,21,24,29H,4,13-16,18-20H2,1-3H3,(H,41,46)(H,42,47);6-13,18,27,29,33H,4-5,14-17,19-22H2,1-3H3,(H,38,44)(H,39,45);8-11,16-19,29-30H,6-7,12-15,20-22H2,1-5H3,(H,38,44)(H,39,45);11,13,15-16,21,24,28-29H,4-10,12,14,17-20,22-23H2,1-3H3,(H,37,43)(H,38,44);6-12,18-19,24,28H,4-5,13-17,20-21H2,1-3H3,(H,37,43)(H,38,44);6-7,12-13,18,22,24,26,30H,4-5,8-11,14-17,19-20H2,1-3H3,(H,39,45)(H,40,46);6-13,18,24,28H,4-5,14-17,19-21H2,1-3H3,(H,37,43)(H,38,44);11-14,20,23,25,28H,4-10,15-19,21-22H2,1-3H3,(H,36,42)(H,37,43)/t24-,29-;29-,33+;29-,30+;28-,29+;24-,28-;22?,24?,26-,30+;24-,28-;25-,28-/m11001111/s1
InChIKeyJVQGLPUQNHGJHS-UNBJAPPZSA-N
XLogP28.79
TPSA937.42 Ų
H-Bond Donors16
H-Bond Acceptors56
Rotatable Bonds104
Heavy Atoms367
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005127.93
LogP ≤ 528.79
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1056

Analyze (2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide?
The IUPAC name of (2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide (CID 159037518) is (2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide.
What is the SMILES notation for (2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide?
The canonical SMILES for (2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide is CCC(=O)N[C@H](Cc1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C(F)(F)F)CC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2Cc3ccccc3C2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(CC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(CC(=O)[C@H](Cc2cc(C)cc(C)c2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)C(F)(F)c2ccc(OC)nc2)Cc2ccccc2Cl)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)CC2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)Cc2cccc(Cl)c2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)Cc2ccccc2F)c(F)c1)C(=O)N1CCN(C)CC1.
What is the InChIKey of (2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide?
The InChIKey is JVQGLPUQNHGJHS-UNBJAPPZSA-N. The full InChI is InChI=1S/C35H39ClF3N5O5.C35H43FN6O4.C35H45FN6O4.C34H49FN6O4.C33H40ClFN6O4.C33H44F4N6O4.C33H40F2N6O4.C33H47FN6O4/c1-4-31(46)41-29(34(48)44-15-13-43(2)14-16-44)18-22-9-11-28(27(37)17-22)42-33(47)24(19-23-7-5-6-8-26(23)36)20-30(45)35(38,39)25-10-12-32(49-3)40-21-25;1-4-32(44)38-29(35(46)41-16-14-40(3)15-17-41)19-23-10-11-26(28(36)18-23)22-31(43)33(27-20-24-8-6-7-9-25(24)21-27)39-34(45)30-12-13-37-42(30)5-2;1-6-33(44)38-30(35(46)41-14-12-40(5)13-15-41)20-25-8-9-27(28(36)19-25)22-32(43)29(21-26-17-23(3)16-24(4)18-26)39-34(45)31-10-11-37-42(31)7-2;1-4-32(43)37-29(34(45)40-19-17-39(3)18-20-40)22-25-11-13-26(27(35)21-25)23-31(42)28(14-12-24-9-7-6-8-10-24)38-33(44)30-15-16-36-41(30)5-2;1-4-31(43)37-28(33(45)40-15-13-39(3)14-16-40)20-23-9-10-27(26(35)19-23)38-32(44)24(17-22-7-6-8-25(34)18-22)21-30(42)29-11-12-36-41(29)5-2;1-4-29(45)39-26(32(47)42-16-14-41(3)15-17-42)19-21-6-7-23(25(34)18-21)20-28(44)30(22-8-10-24(11-9-22)33(35,36)37)40-31(46)27-12-13-38-43(27)5-2;1-4-31(43)37-28(33(45)40-16-14-39(3)15-17-40)19-22-10-11-27(26(35)18-22)38-32(44)24(20-23-8-6-7-9-25(23)34)21-30(42)29-12-13-36-41(29)5-2;1-4-31(42)36-28(33(44)39-17-15-38(3)16-18-39)21-24-11-12-27(26(34)20-24)37-32(43)25(19-23-9-7-6-8-10-23)22-30(41)29-13-14-35-40(29)5-2/h5-12,17,21,24,29H,4,13-16,18-20H2,1-3H3,(H,41,46)(H,42,47);6-13,18,27,29,33H,4-5,14-17,19-22H2,1-3H3,(H,38,44)(H,39,45);8-11,16-19,29-30H,6-7,12-15,20-22H2,1-5H3,(H,38,44)(H,39,45);11,13,15-16,21,24,28-29H,4-10,12,14,17-20,22-23H2,1-3H3,(H,37,43)(H,38,44);6-12,18-19,24,28H,4-5,13-17,20-21H2,1-3H3,(H,37,43)(H,38,44);6-7,12-13,18,22,24,26,30H,4-5,8-11,14-17,19-20H2,1-3H3,(H,39,45)(H,40,46);6-13,18,24,28H,4-5,14-17,19-21H2,1-3H3,(H,37,43)(H,38,44);11-14,20,23,25,28H,4-10,15-19,21-22H2,1-3H3,(H,36,42)(H,37,43)/t24-,29-;29-,33+;29-,30+;28-,29+;24-,28-;22?,24?,26-,30+;24-,28-;25-,28-/m11001111/s1.
What are the key properties of (2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide?
(2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide has a molecular weight of 5127.93 g/mol, XLogP of 28.79, 104 rotatable bonds, 16 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chlorophenyl)methyl]-5,5-difluoro-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-5-(6-methoxy-3-pyridinyl)-4-oxopentanamide;(2R)-2-[(3-chlorophenyl)methyl]-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(3S)-5-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopentan-3-yl]-2-ethylpyrazole-3-carboxamide;(2R)-2-(cyclohexylmethyl)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-1-(3,5-dimethylphenyl)-4-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-3-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2R)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-2-[(2-fluorophenyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 159037518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).