(2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide

C268H363F17N50O32S — CID 162194200

IUPAC(2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C(F)(F)F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC(C)C)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC(F)(F)F)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)[C@@H](C)c2ccccc2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)CC(C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)CC(F)(F)F)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc(C[C@@H](NC(=O)CC2CC2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2csnn2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C35H51FN6O4.C34H46F4N6O4.C34H47FN6O4.C34H43FN6O4.C33H44F4N6O4.C33H43FN8O4S.C33H47FN6O4.C32H42F4N6O4/c1-6-32(44)39-33(35(46)41-18-16-40(5)17-19-41)24(4)26-12-13-29(28(36)20-26)38-34(45)27(25-10-8-7-9-11-25)21-31(43)30-14-15-37-42(30)22-23(2)3;1-5-29(46)40-30(33(48)43-17-15-42(4)16-18-43)21(3)23-7-8-24(26(35)19-23)20-28(45)31(22-9-11-25(12-10-22)34(36,37)38)41-32(47)27-13-14-39-44(27)6-2;1-3-41-30(13-14-36-41)31(42)22-26(25-7-5-4-6-8-25)33(44)38-28-12-11-24(19-27(28)35)20-29(37-32(43)21-23-9-10-23)34(45)40-17-15-39(2)16-18-40;1-5-32(43)37-29(34(45)40-18-16-39(4)17-19-40)21-24-12-13-28(27(35)20-24)38-33(44)26(23(3)25-10-8-7-9-11-25)22-31(42)30-14-15-36-41(30)6-2;1-4-43-27(12-13-38-43)28(44)19-24(22-8-6-5-7-9-22)31(46)39-26-11-10-23(18-25(26)34)21(2)30(40-29(45)20-33(35,36)37)32(47)42-16-14-41(3)15-17-42;1-4-42-28(12-13-35-42)29(43)19-24(22-8-6-5-7-9-22)31(44)36-26-11-10-23(18-25(26)34)21(2)30(37-32(45)27-20-47-39-38-27)33(46)41-16-14-40(3)15-17-41;1-5-30(42)37-31(33(44)39-18-16-38(4)17-19-39)22(3)24-12-13-27(26(34)20-24)36-32(43)25(23-10-8-7-9-11-23)21-29(41)28-14-15-35-40(28)6-2;1-3-29(44)38-26(31(46)41-15-13-40(2)14-16-41)18-21-9-10-25(24(33)17-21)39-30(45)23(22-7-5-4-6-8-22)19-28(43)27-11-12-37-42(27)20-32(34,35)36/h12-15,20,23-25,27,33H,6-11,16-19,21-22H2,1-5H3,(H,38,45)(H,39,44);7-8,13-14,19,21-22,25,30-31H,5-6,9-12,15-18,20H2,1-4H3,(H,40,46)(H,41,47);11-14,19,23,25-26,29H,3-10,15-18,20-22H2,1-2H3,(H,37,43)(H,38,44);7-15,20,23,26,29H,5-6,16-19,21-22H2,1-4H3,(H,37,43)(H,38,44);10-13,18,21-22,24,30H,4-9,14-17,19-20H2,1-3H3,(H,39,46)(H,40,45);10-13,18,20-22,24,30H,4-9,14-17,19H2,1-3H3,(H,36,44)(H,37,45);12-15,20,22-23,25,31H,5-11,16-19,21H2,1-4H3,(H,36,43)(H,37,42);9-12,17,22-23,26H,3-8,13-16,18-20H2,1-2H3,(H,38,44)(H,39,45)/t24-,27-,33+;21-,22?,25?,30+,31-;26-,29+;23-,26-,29+;21-,24?,30+;21-,24-,30+;22-,25-,31+;23-,26+/m00000000/s1
InChIKeyZQSMDPKPBIKFEN-PYQUXAIGSA-N
MW5152.20 g/mol
LogP34.06
Rot. Bonds99

About (2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide

(2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide (PubChem CID 162194200) has the molecular formula C268H363F17N50O32S and a molecular weight of 5152.20 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide
PubChem CID162194200
Molecular FormulaC268H363F17N50O32S
Molecular Weight5152.20 g/mol
Exact Mass5148.78
IUPAC Name(2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C(F)(F)F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC(C)C)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC(F)(F)F)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)[C@@H](C)c2ccccc2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)CC(C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)CC(F)(F)F)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc(C[C@@H](NC(=O)CC2CC2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2csnn2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C35H51FN6O4.C34H46F4N6O4.C34H47FN6O4.C34H43FN6O4.C33H44F4N6O4.C33H43FN8O4S.C33H47FN6O4.C32H42F4N6O4/c1-6-32(44)39-33(35(46)41-18-16-40(5)17-19-41)24(4)26-12-13-29(28(36)20-26)38-34(45)27(25-10-8-7-9-11-25)21-31(43)30-14-15-37-42(30)22-23(2)3;1-5-29(46)40-30(33(48)43-17-15-42(4)16-18-43)21(3)23-7-8-24(26(35)19-23)20-28(45)31(22-9-11-25(12-10-22)34(36,37)38)41-32(47)27-13-14-39-44(27)6-2;1-3-41-30(13-14-36-41)31(42)22-26(25-7-5-4-6-8-25)33(44)38-28-12-11-24(19-27(28)35)20-29(37-32(43)21-23-9-10-23)34(45)40-17-15-39(2)16-18-40;1-5-32(43)37-29(34(45)40-18-16-39(4)17-19-40)21-24-12-13-28(27(35)20-24)38-33(44)26(23(3)25-10-8-7-9-11-25)22-31(42)30-14-15-36-41(30)6-2;1-4-43-27(12-13-38-43)28(44)19-24(22-8-6-5-7-9-22)31(46)39-26-11-10-23(18-25(26)34)21(2)30(40-29(45)20-33(35,36)37)32(47)42-16-14-41(3)15-17-42;1-4-42-28(12-13-35-42)29(43)19-24(22-8-6-5-7-9-22)31(44)36-26-11-10-23(18-25(26)34)21(2)30(37-32(45)27-20-47-39-38-27)33(46)41-16-14-40(3)15-17-41;1-5-30(42)37-31(33(44)39-18-16-38(4)17-19-39)22(3)24-12-13-27(26(34)20-24)36-32(43)25(23-10-8-7-9-11-23)21-29(41)28-14-15-35-40(28)6-2;1-3-29(44)38-26(31(46)41-15-13-40(2)14-16-41)18-21-9-10-25(24(33)17-21)39-30(45)23(22-7-5-4-6-8-22)19-28(43)27-11-12-37-42(27)20-32(34,35)36/h12-15,20,23-25,27,33H,6-11,16-19,21-22H2,1-5H3,(H,38,45)(H,39,44);7-8,13-14,19,21-22,25,30-31H,5-6,9-12,15-18,20H2,1-4H3,(H,40,46)(H,41,47);11-14,19,23,25-26,29H,3-10,15-18,20-22H2,1-2H3,(H,37,43)(H,38,44);7-15,20,23,26,29H,5-6,16-19,21-22H2,1-4H3,(H,37,43)(H,38,44);10-13,18,21-22,24,30H,4-9,14-17,19-20H2,1-3H3,(H,39,46)(H,40,45);10-13,18,20-22,24,30H,4-9,14-17,19H2,1-3H3,(H,36,44)(H,37,45);12-15,20,22-23,25,31H,5-11,16-19,21H2,1-4H3,(H,36,43)(H,37,42);9-12,17,22-23,26H,3-8,13-16,18-20H2,1-2H3,(H,38,44)(H,39,45)/t24-,27-,33+;21-,22?,25?,30+,31-;26-,29+;23-,26-,29+;21-,24?,30+;21-,24-,30+;22-,25-,31+;23-,26+/m00000000/s1
InChIKeyZQSMDPKPBIKFEN-PYQUXAIGSA-N
XLogP34.06
TPSA958.90 Ų
H-Bond Donors16
H-Bond Acceptors59
Rotatable Bonds99
Heavy Atoms368
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005152.20
LogP ≤ 534.06
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1059

Analyze (2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide?
The IUPAC name of (2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide (CID 162194200) is (2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide.
What is the SMILES notation for (2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide?
The canonical SMILES for (2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide is CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C(F)(F)F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC(C)C)C2CCCCC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC(F)(F)F)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](CC(=O)c2ccnn2CC)[C@@H](C)c2ccccc2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)CC(C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)CC(F)(F)F)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc(C[C@@H](NC(=O)CC2CC2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2csnn2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide?
The InChIKey is ZQSMDPKPBIKFEN-PYQUXAIGSA-N. The full InChI is InChI=1S/C35H51FN6O4.C34H46F4N6O4.C34H47FN6O4.C34H43FN6O4.C33H44F4N6O4.C33H43FN8O4S.C33H47FN6O4.C32H42F4N6O4/c1-6-32(44)39-33(35(46)41-18-16-40(5)17-19-41)24(4)26-12-13-29(28(36)20-26)38-34(45)27(25-10-8-7-9-11-25)21-31(43)30-14-15-37-42(30)22-23(2)3;1-5-29(46)40-30(33(48)43-17-15-42(4)16-18-43)21(3)23-7-8-24(26(35)19-23)20-28(45)31(22-9-11-25(12-10-22)34(36,37)38)41-32(47)27-13-14-39-44(27)6-2;1-3-41-30(13-14-36-41)31(42)22-26(25-7-5-4-6-8-25)33(44)38-28-12-11-24(19-27(28)35)20-29(37-32(43)21-23-9-10-23)34(45)40-17-15-39(2)16-18-40;1-5-32(43)37-29(34(45)40-18-16-39(4)17-19-40)21-24-12-13-28(27(35)20-24)38-33(44)26(23(3)25-10-8-7-9-11-25)22-31(42)30-14-15-36-41(30)6-2;1-4-43-27(12-13-38-43)28(44)19-24(22-8-6-5-7-9-22)31(46)39-26-11-10-23(18-25(26)34)21(2)30(40-29(45)20-33(35,36)37)32(47)42-16-14-41(3)15-17-42;1-4-42-28(12-13-35-42)29(43)19-24(22-8-6-5-7-9-22)31(44)36-26-11-10-23(18-25(26)34)21(2)30(37-32(45)27-20-47-39-38-27)33(46)41-16-14-40(3)15-17-41;1-5-30(42)37-31(33(44)39-18-16-38(4)17-19-39)22(3)24-12-13-27(26(34)20-24)36-32(43)25(23-10-8-7-9-11-23)21-29(41)28-14-15-35-40(28)6-2;1-3-29(44)38-26(31(46)41-15-13-40(2)14-16-41)18-21-9-10-25(24(33)17-21)39-30(45)23(22-7-5-4-6-8-22)19-28(43)27-11-12-37-42(27)20-32(34,35)36/h12-15,20,23-25,27,33H,6-11,16-19,21-22H2,1-5H3,(H,38,45)(H,39,44);7-8,13-14,19,21-22,25,30-31H,5-6,9-12,15-18,20H2,1-4H3,(H,40,46)(H,41,47);11-14,19,23,25-26,29H,3-10,15-18,20-22H2,1-2H3,(H,37,43)(H,38,44);7-15,20,23,26,29H,5-6,16-19,21-22H2,1-4H3,(H,37,43)(H,38,44);10-13,18,21-22,24,30H,4-9,14-17,19-20H2,1-3H3,(H,39,46)(H,40,45);10-13,18,20-22,24,30H,4-9,14-17,19H2,1-3H3,(H,36,44)(H,37,45);12-15,20,22-23,25,31H,5-11,16-19,21H2,1-4H3,(H,36,43)(H,37,42);9-12,17,22-23,26H,3-8,13-16,18-20H2,1-2H3,(H,38,44)(H,39,45)/t24-,27-,33+;21-,22?,25?,30+,31-;26-,29+;23-,26-,29+;21-,24?,30+;21-,24-,30+;22-,25-,31+;23-,26+/m00000000/s1.
What are the key properties of (2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide?
(2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide has a molecular weight of 5152.20 g/mol, XLogP of 34.06, 99 rotatable bonds, 16 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-N-[4-[(2R)-2-[(2-cyclopropylacetyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluorophenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-2-cyclohexyl-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(3,3,3-trifluoropropanoylamino)butan-2-yl]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]thiadiazole-4-carboxamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-[2-(2-methylpropyl)pyrazol-3-yl]-4-oxobutanamide;(2S)-2-cyclohexyl-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]butanamide;2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]propyl]pyrazole-3-carboxamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-4-oxo-2-[(1R)-1-phenylethyl]butanamide is sourced from PubChem (CID 162194200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).