(2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide

C264H349Cl2F15N54O33 — CID 167572233

IUPAC(2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)C2CCNCC2)C2CCCCC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=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(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2Cc3ccccc3C2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=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](Cc2cccc(Cl)c2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(F)(F)c2ccc(OC)nc2)c(F)c1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C34H38ClF3N6O5.C34H42FN7O4.C34H44FN7O4.C33H49F3N6O4.C33H48FN7O4.C32H39ClFN7O4.C32H43F4N7O4.C32H46FN7O4/c1-4-29(45)40-28(32(47)44-15-13-43(2)14-16-44)18-21-9-11-26(25(36)17-21)41-31(46)27(19-22-7-5-6-8-24(22)35)42-33(48)34(37,38)23-10-12-30(49-3)39-20-23;1-4-30(43)37-28(34(46)41-16-14-40(3)15-17-41)19-22-10-11-27(26(35)18-22)38-33(45)31(25-20-23-8-6-7-9-24(23)21-25)39-32(44)29-12-13-36-42(29)5-2;1-6-31(43)37-29(34(46)41-14-12-40(5)13-15-41)20-24-8-9-27(26(35)19-24)38-32(44)28(21-25-17-22(3)16-23(4)18-25)39-33(45)30-10-11-36-42(30)7-2;1-4-27(43)39-28(31(45)42-18-16-41(3)17-19-42)21(2)23-10-11-26(25(34)20-23)38-30(44)29(22-8-6-5-7-9-22)40-32(46)33(35,36)24-12-14-37-15-13-24;1-4-30(42)36-28(33(45)40-19-17-39(3)18-20-40)22-24-12-13-26(25(34)21-24)37-31(43)27(14-11-23-9-7-6-8-10-23)38-32(44)29-15-16-35-41(29)5-2;1-4-29(42)36-27(32(45)40-15-13-39(3)14-16-40)20-22-9-10-25(24(34)18-22)37-30(43)26(19-21-7-6-8-23(33)17-21)38-31(44)28-11-12-35-41(28)5-2;1-4-27(44)38-25(31(47)42-16-14-41(3)15-17-42)19-20-6-11-24(23(33)18-20)39-30(46)28(21-7-9-22(10-8-21)32(34,35)36)40-29(45)26-12-13-37-43(26)5-2;1-4-29(41)35-27(32(44)39-17-15-38(3)16-18-39)21-23-11-12-25(24(33)19-23)36-30(42)26(20-22-9-7-6-8-10-22)37-31(43)28-13-14-34-40(28)5-2/h5-12,17,20,27-28H,4,13-16,18-19H2,1-3H3,(H,40,45)(H,41,46)(H,42,48);6-13,18,25,28,31H,4-5,14-17,19-21H2,1-3H3,(H,37,43)(H,38,45)(H,39,44);8-11,16-19,28-29H,6-7,12-15,20-21H2,1-5H3,(H,37,43)(H,38,44)(H,39,45);10-11,20-22,24,28-29,37H,4-9,12-19H2,1-3H3,(H,38,44)(H,39,43)(H,40,46);12-13,15-16,21,23,27-28H,4-11,14,17-20,22H2,1-3H3,(H,36,42)(H,37,43)(H,38,44);6-12,17-18,26-27H,4-5,13-16,19-20H2,1-3H3,(H,36,42)(H,37,43)(H,38,44);6,11-13,18,21-22,25,28H,4-5,7-10,14-17,19H2,1-3H3,(H,38,44)(H,39,46)(H,40,45);11-14,19,22,26-27H,4-10,15-18,20-21H2,1-3H3,(H,35,41)(H,36,42)(H,37,43)/t27-,28+;28-,31+;28-,29+;21-,28+,29-;27-,28+;26-,27+;21?,22?,25-,28+;26-,27+/m01000010/s1
InChIKeyGBCDZZKKPJXKOQ-ZHAFQATLSA-N
MW5162.92 g/mol
LogP24.60
Rot. Bonds95

About (2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide

(2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide (PubChem CID 167572233) has the molecular formula C264H349Cl2F15N54O33 and a molecular weight of 5162.92 g/mol. Its IUPAC name is (2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide
PubChem CID167572233
Molecular FormulaC264H349Cl2F15N54O33
Molecular Weight5162.92 g/mol
Exact Mass5158.64
IUPAC Name(2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)C2CCNCC2)C2CCCCC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=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(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2Cc3ccccc3C2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=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](Cc2cccc(Cl)c2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(F)(F)c2ccc(OC)nc2)c(F)c1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C34H38ClF3N6O5.C34H42FN7O4.C34H44FN7O4.C33H49F3N6O4.C33H48FN7O4.C32H39ClFN7O4.C32H43F4N7O4.C32H46FN7O4/c1-4-29(45)40-28(32(47)44-15-13-43(2)14-16-44)18-21-9-11-26(25(36)17-21)41-31(46)27(19-22-7-5-6-8-24(22)35)42-33(48)34(37,38)23-10-12-30(49-3)39-20-23;1-4-30(43)37-28(34(46)41-16-14-40(3)15-17-41)19-22-10-11-27(26(35)18-22)38-33(45)31(25-20-23-8-6-7-9-24(23)21-25)39-32(44)29-12-13-36-42(29)5-2;1-6-31(43)37-29(34(46)41-14-12-40(5)13-15-41)20-24-8-9-27(26(35)19-24)38-32(44)28(21-25-17-22(3)16-23(4)18-25)39-33(45)30-10-11-36-42(30)7-2;1-4-27(43)39-28(31(45)42-18-16-41(3)17-19-42)21(2)23-10-11-26(25(34)20-23)38-30(44)29(22-8-6-5-7-9-22)40-32(46)33(35,36)24-12-14-37-15-13-24;1-4-30(42)36-28(33(45)40-19-17-39(3)18-20-40)22-24-12-13-26(25(34)21-24)37-31(43)27(14-11-23-9-7-6-8-10-23)38-32(44)29-15-16-35-41(29)5-2;1-4-29(42)36-27(32(45)40-15-13-39(3)14-16-40)20-22-9-10-25(24(34)18-22)37-30(43)26(19-21-7-6-8-23(33)17-21)38-31(44)28-11-12-35-41(28)5-2;1-4-27(44)38-25(31(47)42-16-14-41(3)15-17-42)19-20-6-11-24(23(33)18-20)39-30(46)28(21-7-9-22(10-8-21)32(34,35)36)40-29(45)26-12-13-37-43(26)5-2;1-4-29(41)35-27(32(44)39-17-15-38(3)16-18-39)21-23-11-12-25(24(33)19-23)36-30(42)26(20-22-9-7-6-8-10-22)37-31(43)28-13-14-34-40(28)5-2/h5-12,17,20,27-28H,4,13-16,18-19H2,1-3H3,(H,40,45)(H,41,46)(H,42,48);6-13,18,25,28,31H,4-5,14-17,19-21H2,1-3H3,(H,37,43)(H,38,45)(H,39,44);8-11,16-19,28-29H,6-7,12-15,20-21H2,1-5H3,(H,37,43)(H,38,44)(H,39,45);10-11,20-22,24,28-29,37H,4-9,12-19H2,1-3H3,(H,38,44)(H,39,43)(H,40,46);12-13,15-16,21,23,27-28H,4-11,14,17-20,22H2,1-3H3,(H,36,42)(H,37,43)(H,38,44);6-12,17-18,26-27H,4-5,13-16,19-20H2,1-3H3,(H,36,42)(H,37,43)(H,38,44);6,11-13,18,21-22,25,28H,4-5,7-10,14-17,19H2,1-3H3,(H,38,44)(H,39,46)(H,40,45);11-14,19,22,26-27H,4-10,15-18,20-21H2,1-3H3,(H,35,41)(H,36,42)(H,37,43)/t27-,28+;28-,31+;28-,29+;21-,28+,29-;27-,28+;26-,27+;21?,22?,25-,28+;26-,27+/m01000010/s1
InChIKeyGBCDZZKKPJXKOQ-ZHAFQATLSA-N
XLogP24.60
TPSA1027.87 Ų
H-Bond Donors25
H-Bond Acceptors55
Rotatable Bonds95
Heavy Atoms368
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005162.92
LogP ≤ 524.60
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1055

Analyze (2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of (2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide (CID 167572233) is (2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for (2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for (2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide is CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)C2CCNCC2)C2CCCCC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=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(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2Cc3ccccc3C2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@H](CCC2CCCCC2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=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](Cc2cccc(Cl)c2)NC(=O)c2ccnn2CC)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)C(F)(F)c2ccc(OC)nc2)c(F)c1)C(=O)N1CCN(C)CC1.
What is the InChIKey of (2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide?
The InChIKey is GBCDZZKKPJXKOQ-ZHAFQATLSA-N. The full InChI is InChI=1S/C34H38ClF3N6O5.C34H42FN7O4.C34H44FN7O4.C33H49F3N6O4.C33H48FN7O4.C32H39ClFN7O4.C32H43F4N7O4.C32H46FN7O4/c1-4-29(45)40-28(32(47)44-15-13-43(2)14-16-44)18-21-9-11-26(25(36)17-21)41-31(46)27(19-22-7-5-6-8-24(22)35)42-33(48)34(37,38)23-10-12-30(49-3)39-20-23;1-4-30(43)37-28(34(46)41-16-14-40(3)15-17-41)19-22-10-11-27(26(35)18-22)38-33(45)31(25-20-23-8-6-7-9-24(23)21-25)39-32(44)29-12-13-36-42(29)5-2;1-6-31(43)37-29(34(46)41-14-12-40(5)13-15-41)20-24-8-9-27(26(35)19-24)38-32(44)28(21-25-17-22(3)16-23(4)18-25)39-33(45)30-10-11-36-42(30)7-2;1-4-27(43)39-28(31(45)42-18-16-41(3)17-19-42)21(2)23-10-11-26(25(34)20-23)38-30(44)29(22-8-6-5-7-9-22)40-32(46)33(35,36)24-12-14-37-15-13-24;1-4-30(42)36-28(33(45)40-19-17-39(3)18-20-40)22-24-12-13-26(25(34)21-24)37-31(43)27(14-11-23-9-7-6-8-10-23)38-32(44)29-15-16-35-41(29)5-2;1-4-29(42)36-27(32(45)40-15-13-39(3)14-16-40)20-22-9-10-25(24(34)18-22)37-30(43)26(19-21-7-6-8-23(33)17-21)38-31(44)28-11-12-35-41(28)5-2;1-4-27(44)38-25(31(47)42-16-14-41(3)15-17-42)19-20-6-11-24(23(33)18-20)39-30(46)28(21-7-9-22(10-8-21)32(34,35)36)40-29(45)26-12-13-37-43(26)5-2;1-4-29(41)35-27(32(44)39-17-15-38(3)16-18-39)21-23-11-12-25(24(33)19-23)36-30(42)26(20-22-9-7-6-8-10-22)37-31(43)28-13-14-34-40(28)5-2/h5-12,17,20,27-28H,4,13-16,18-19H2,1-3H3,(H,40,45)(H,41,46)(H,42,48);6-13,18,25,28,31H,4-5,14-17,19-21H2,1-3H3,(H,37,43)(H,38,45)(H,39,44);8-11,16-19,28-29H,6-7,12-15,20-21H2,1-5H3,(H,37,43)(H,38,44)(H,39,45);10-11,20-22,24,28-29,37H,4-9,12-19H2,1-3H3,(H,38,44)(H,39,43)(H,40,46);12-13,15-16,21,23,27-28H,4-11,14,17-20,22H2,1-3H3,(H,36,42)(H,37,43)(H,38,44);6-12,17-18,26-27H,4-5,13-16,19-20H2,1-3H3,(H,36,42)(H,37,43)(H,38,44);6,11-13,18,21-22,25,28H,4-5,7-10,14-17,19H2,1-3H3,(H,38,44)(H,39,46)(H,40,45);11-14,19,22,26-27H,4-10,15-18,20-21H2,1-3H3,(H,35,41)(H,36,42)(H,37,43)/t27-,28+;28-,31+;28-,29+;21-,28+,29-;27-,28+;26-,27+;21?,22?,25-,28+;26-,27+/m01000010/s1.
What are the key properties of (2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide?
(2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide has a molecular weight of 5162.92 g/mol, XLogP of 24.60, 95 rotatable bonds, 25 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-chlorophenyl)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]propanamide;N-[(2S)-3-(3-chlorophenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cyclohexyl-2-[(2,2-difluoro-2-piperidin-4-ylacetyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(2S)-4-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-cyclohexyl-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2S)-3-(3,5-dimethylphenyl)-1-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 167572233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).