(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide

C276H372F10N54O34S — CID 162249761

IUPAC(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)C(F)(F)c2cccc(C)c2)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](CC)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)cc1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN(CCF)CC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2c[nH]c(=O)[nH]2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cn[nH]c2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cnc(C)n2C)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2coc(C)n2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cscn2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C36H47F3N4O4.C36H49FN8O4.C35H46FN7O5.C34H45FN8O5.C34H45FN8O4.C34H44FN7O4S.C34H50N6O4.C33H46F2N6O4/c1-5-32(45)41-33(35(47)43-18-16-42(4)17-19-43)24(3)26-14-15-30(29(37)21-26)40-34(46)28(25-11-7-6-8-12-25)22-31(44)36(38,39)27-13-9-10-23(2)20-27;1-6-45-30(14-15-39-45)32(46)21-27(25-10-8-7-9-11-25)34(47)40-29-13-12-26(20-28(29)37)23(2)33(36(49)44-18-16-42(4)17-19-44)41-35(48)31-22-38-24(3)43(31)5;1-5-43-30(13-14-37-43)31(44)20-26(24-9-7-6-8-10-24)33(45)39-28-12-11-25(19-27(28)36)22(2)32(35(47)42-17-15-41(4)16-18-42)40-34(46)29-21-48-23(3)38-29;1-4-43-28(12-13-37-43)29(44)19-24(22-8-6-5-7-9-22)31(45)38-26-11-10-23(18-25(26)35)21(2)30(33(47)42-16-14-41(3)15-17-42)40-32(46)27-20-36-34(48)39-27;1-4-43-29(12-13-38-43)30(44)19-26(23-8-6-5-7-9-23)33(46)39-28-11-10-24(18-27(28)35)22(2)31(40-32(45)25-20-36-37-21-25)34(47)42-16-14-41(3)15-17-42;1-4-42-29(12-13-37-42)30(43)19-25(23-8-6-5-7-9-23)32(44)38-27-11-10-24(18-26(27)35)22(2)31(39-33(45)28-20-47-21-36-28)34(46)41-16-14-40(3)15-17-41;1-5-27(32(36-30(42)6-2)34(44)39-21-19-38(4)20-22-39)25-15-13-24(14-16-25)23-29(41)31(26-11-9-8-10-12-26)37-33(43)28-17-18-35-40(28)7-3;1-3-31(43)37-28(33(45)40-18-16-39(15-13-34)17-19-40)21-23-10-11-27(26(35)20-23)38-32(44)25(24-8-6-5-7-9-24)22-30(42)29-12-14-36-41(29)4-2/h9-10,13-15,20-21,24-25,28,33H,5-8,11-12,16-19,22H2,1-4H3,(H,40,46)(H,41,45);12-15,20,22-23,25,27,33H,6-11,16-19,21H2,1-5H3,(H,40,47)(H,41,48);11-14,19,21-22,24,26,32H,5-10,15-18,20H2,1-4H3,(H,39,45)(H,40,46);10-13,18,20-22,24,30H,4-9,14-17,19H2,1-3H3,(H,38,45)(H,40,46)(H2,36,39,48);10-13,18,20-23,26,31H,4-9,14-17,19H2,1-3H3,(H,36,37)(H,39,46)(H,40,45);10-13,18,20-23,25,31H,4-9,14-17,19H2,1-3H3,(H,38,44)(H,39,45);13-18,26-27,31-32H,5-12,19-23H2,1-4H3,(H,36,42)(H,37,43);10-12,14,20,24-25,28H,3-9,13,15-19,21-22H2,1-2H3,(H,37,43)(H,38,44)/t24-,28-,33+;23-,27-,33+;22-,26-,32+;21-,24-,30+;22-,26-,31+;22-,25-,31+;27-,31-,32+;25-,28+/m00000000/s1
InChIKeyZXVFEGBNIHQLLQ-ROZQVBDFSA-N
MW5212.40 g/mol
LogP33.51
Rot. Bonds99

About (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide

(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 162249761) has the molecular formula C276H372F10N54O34S and a molecular weight of 5212.40 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide
PubChem CID162249761
Molecular FormulaC276H372F10N54O34S
Molecular Weight5212.40 g/mol
Exact Mass5208.86
IUPAC Name(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)C(F)(F)c2cccc(C)c2)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](CC)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)cc1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN(CCF)CC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2c[nH]c(=O)[nH]2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cn[nH]c2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cnc(C)n2C)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2coc(C)n2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cscn2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C36H47F3N4O4.C36H49FN8O4.C35H46FN7O5.C34H45FN8O5.C34H45FN8O4.C34H44FN7O4S.C34H50N6O4.C33H46F2N6O4/c1-5-32(45)41-33(35(47)43-18-16-42(4)17-19-43)24(3)26-14-15-30(29(37)21-26)40-34(46)28(25-11-7-6-8-12-25)22-31(44)36(38,39)27-13-9-10-23(2)20-27;1-6-45-30(14-15-39-45)32(46)21-27(25-10-8-7-9-11-25)34(47)40-29-13-12-26(20-28(29)37)23(2)33(36(49)44-18-16-42(4)17-19-44)41-35(48)31-22-38-24(3)43(31)5;1-5-43-30(13-14-37-43)31(44)20-26(24-9-7-6-8-10-24)33(45)39-28-12-11-25(19-27(28)36)22(2)32(35(47)42-17-15-41(4)16-18-42)40-34(46)29-21-48-23(3)38-29;1-4-43-28(12-13-37-43)29(44)19-24(22-8-6-5-7-9-22)31(45)38-26-11-10-23(18-25(26)35)21(2)30(33(47)42-16-14-41(3)15-17-42)40-32(46)27-20-36-34(48)39-27;1-4-43-29(12-13-38-43)30(44)19-26(23-8-6-5-7-9-23)33(46)39-28-11-10-24(18-27(28)35)22(2)31(40-32(45)25-20-36-37-21-25)34(47)42-16-14-41(3)15-17-42;1-4-42-29(12-13-37-42)30(43)19-25(23-8-6-5-7-9-23)32(44)38-27-11-10-24(18-26(27)35)22(2)31(39-33(45)28-20-47-21-36-28)34(46)41-16-14-40(3)15-17-41;1-5-27(32(36-30(42)6-2)34(44)39-21-19-38(4)20-22-39)25-15-13-24(14-16-25)23-29(41)31(26-11-9-8-10-12-26)37-33(43)28-17-18-35-40(28)7-3;1-3-31(43)37-28(33(45)40-18-16-39(15-13-34)17-19-40)21-23-10-11-27(26(35)20-23)38-32(44)25(24-8-6-5-7-9-24)22-30(42)29-12-14-36-41(29)4-2/h9-10,13-15,20-21,24-25,28,33H,5-8,11-12,16-19,22H2,1-4H3,(H,40,46)(H,41,45);12-15,20,22-23,25,27,33H,6-11,16-19,21H2,1-5H3,(H,40,47)(H,41,48);11-14,19,21-22,24,26,32H,5-10,15-18,20H2,1-4H3,(H,39,45)(H,40,46);10-13,18,20-22,24,30H,4-9,14-17,19H2,1-3H3,(H,38,45)(H,40,46)(H2,36,39,48);10-13,18,20-23,26,31H,4-9,14-17,19H2,1-3H3,(H,36,37)(H,39,46)(H,40,45);10-13,18,20-23,25,31H,4-9,14-17,19H2,1-3H3,(H,38,44)(H,39,45);13-18,26-27,31-32H,5-12,19-23H2,1-4H3,(H,36,42)(H,37,43);10-12,14,20,24-25,28H,3-9,13,15-19,21-22H2,1-2H3,(H,37,43)(H,38,44)/t24-,28-,33+;23-,27-,33+;22-,26-,32+;21-,24-,30+;22-,26-,31+;22-,25-,31+;27-,31-,32+;25-,28+/m00000000/s1
InChIKeyZXVFEGBNIHQLLQ-ROZQVBDFSA-N
XLogP33.51
TPSA1049.37 Ų
H-Bond Donors19
H-Bond Acceptors62
Rotatable Bonds99
Heavy Atoms375
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005212.40
LogP ≤ 533.51
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1062

Analyze (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide (CID 162249761) is (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide is CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)C(F)(F)c2cccc(C)c2)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](CC)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)cc1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN(CCF)CC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2c[nH]c(=O)[nH]2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cn[nH]c2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cnc(C)n2C)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2coc(C)n2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cscn2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is ZXVFEGBNIHQLLQ-ROZQVBDFSA-N. The full InChI is InChI=1S/C36H47F3N4O4.C36H49FN8O4.C35H46FN7O5.C34H45FN8O5.C34H45FN8O4.C34H44FN7O4S.C34H50N6O4.C33H46F2N6O4/c1-5-32(45)41-33(35(47)43-18-16-42(4)17-19-43)24(3)26-14-15-30(29(37)21-26)40-34(46)28(25-11-7-6-8-12-25)22-31(44)36(38,39)27-13-9-10-23(2)20-27;1-6-45-30(14-15-39-45)32(46)21-27(25-10-8-7-9-11-25)34(47)40-29-13-12-26(20-28(29)37)23(2)33(36(49)44-18-16-42(4)17-19-44)41-35(48)31-22-38-24(3)43(31)5;1-5-43-30(13-14-37-43)31(44)20-26(24-9-7-6-8-10-24)33(45)39-28-12-11-25(19-27(28)36)22(2)32(35(47)42-17-15-41(4)16-18-42)40-34(46)29-21-48-23(3)38-29;1-4-43-28(12-13-37-43)29(44)19-24(22-8-6-5-7-9-22)31(45)38-26-11-10-23(18-25(26)35)21(2)30(33(47)42-16-14-41(3)15-17-42)40-32(46)27-20-36-34(48)39-27;1-4-43-29(12-13-38-43)30(44)19-26(23-8-6-5-7-9-23)33(46)39-28-11-10-24(18-27(28)35)22(2)31(40-32(45)25-20-36-37-21-25)34(47)42-16-14-41(3)15-17-42;1-4-42-29(12-13-37-42)30(43)19-25(23-8-6-5-7-9-23)32(44)38-27-11-10-24(18-26(27)35)22(2)31(39-33(45)28-20-47-21-36-28)34(46)41-16-14-40(3)15-17-41;1-5-27(32(36-30(42)6-2)34(44)39-21-19-38(4)20-22-39)25-15-13-24(14-16-25)23-29(41)31(26-11-9-8-10-12-26)37-33(43)28-17-18-35-40(28)7-3;1-3-31(43)37-28(33(45)40-18-16-39(15-13-34)17-19-40)21-23-10-11-27(26(35)20-23)38-32(44)25(24-8-6-5-7-9-24)22-30(42)29-12-14-36-41(29)4-2/h9-10,13-15,20-21,24-25,28,33H,5-8,11-12,16-19,22H2,1-4H3,(H,40,46)(H,41,45);12-15,20,22-23,25,27,33H,6-11,16-19,21H2,1-5H3,(H,40,47)(H,41,48);11-14,19,21-22,24,26,32H,5-10,15-18,20H2,1-4H3,(H,39,45)(H,40,46);10-13,18,20-22,24,30H,4-9,14-17,19H2,1-3H3,(H,38,45)(H,40,46)(H2,36,39,48);10-13,18,20-23,26,31H,4-9,14-17,19H2,1-3H3,(H,36,37)(H,39,46)(H,40,45);10-13,18,20-23,25,31H,4-9,14-17,19H2,1-3H3,(H,38,44)(H,39,45);13-18,26-27,31-32H,5-12,19-23H2,1-4H3,(H,36,42)(H,37,43);10-12,14,20,24-25,28H,3-9,13,15-19,21-22H2,1-2H3,(H,37,43)(H,38,44)/t24-,28-,33+;23-,27-,33+;22-,26-,32+;21-,24-,30+;22-,26-,31+;22-,25-,31+;27-,31-,32+;25-,28+/m00000000/s1.
What are the key properties of (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide?
(2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 5212.40 g/mol, XLogP of 33.51, 99 rotatable bonds, 19 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-5,5-difluoro-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-5-(3-methylphenyl)-4-oxopentanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxobutanamide;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]-2,3-dimethylimidazole-4-carboxamide;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]-2-methyl-1,3-oxazole-4-carboxamide;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]-2-oxo-1,3-dihydroimidazole-4-carboxamide;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]-1H-pyrazole-4-carboxamide;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]-1,3-thiazole-4-carboxamide;N-[(1S)-1-cyclohexyl-3-[4-[(2R,3S)-1-(4-methylpiperazin-1-yl)-1-oxo-2-(propanoylamino)pentan-3-yl]phenyl]-2-oxopropyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 162249761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).