N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide

C266H360F7N53O34S2 — CID 167667121

IUPACN-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C2CCCCC2)cc1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2csc3ccncc23)C2CCCCC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=O)C(NC(=O)c2ccnn2CC)C2CCc3ccccc3C2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2coc3ccccc23)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2conc2CC)C2CCC(C)CC2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)NC)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2ccc(C)s2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C35H46FN7O4S.C35H44FN7O4.C34H43FN6O4S.C34H42FN5O5.C33H49N7O4.C32H46FN7O4.C32H45FN6O5.C31H45FN8O4/c1-5-43-28(15-16-37-43)32(44)40-31(24-9-7-6-8-10-24)34(46)38-27-13-12-25(21-26(27)36)23(3)30(35(47)42-19-17-41(4)18-20-42)39-33(45)29-14-11-22(2)48-29;1-4-31(44)38-29(35(47)42-18-16-41(3)17-19-42)21-23-10-13-28(27(36)20-23)39-34(46)32(40-33(45)30-14-15-37-43(30)5-2)26-12-11-24-8-6-7-9-25(24)22-26;1-4-29(42)38-30(34(45)41-16-14-40(3)15-17-41)21(2)23-10-11-27(26(35)18-23)37-33(44)31(22-8-6-5-7-9-22)39-32(43)25-20-46-28-12-13-36-19-24(25)28;1-3-30(41)36-28(34(44)40-17-15-39(2)16-18-40)20-22-13-14-27(26(35)19-22)37-33(43)31(23-9-5-4-6-10-23)38-32(42)25-21-45-29-12-8-7-11-24(25)29;1-6-28(41)36-29(33(44)39-20-18-38(5)19-21-39)23(4)24-12-14-26(15-13-24)35-32(43)30(25-10-8-7-9-11-25)37-31(42)27-16-17-34-40(27)22(2)3;1-5-28(41)35-26(32(44)39-17-15-38(4)16-18-39)20-22-11-12-25(24(33)19-22)36-31(43)29(23-9-7-6-8-10-23)37-30(42)27-13-14-34-40(27)21(2)3;1-5-25-23(19-44-37-25)30(41)36-29(22-10-7-20(3)8-11-22)31(42)35-26-12-9-21(17-24(26)33)18-27(34-28(40)6-2)32(43)39-15-13-38(4)14-16-39;1-5-40-25(13-14-34-40)28(41)36-27(21-9-7-6-8-10-21)29(42)35-24-12-11-22(19-23(24)32)20(2)26(37-31(44)33-3)30(43)39-17-15-38(4)16-18-39/h11-16,21,23-24,30-31H,5-10,17-20H2,1-4H3,(H,38,46)(H,39,45)(H,40,44);6-10,13-15,20,26,29,32H,4-5,11-12,16-19,21-22H2,1-3H3,(H,38,44)(H,39,46)(H,40,45);10-13,18-22,30-31H,4-9,14-17H2,1-3H3,(H,37,44)(H,38,42)(H,39,43);7-8,11-14,19,21,23,28,31H,3-6,9-10,15-18,20H2,1-2H3,(H,36,41)(H,37,43)(H,38,42);12-17,22-23,25,29-30H,6-11,18-21H2,1-5H3,(H,35,43)(H,36,41)(H,37,42);11-14,19,21,23,26,29H,5-10,15-18,20H2,1-4H3,(H,35,41)(H,36,43)(H,37,42);9,12,17,19-20,22,27,29H,5-8,10-11,13-16,18H2,1-4H3,(H,34,40)(H,35,42)(H,36,41);11-14,19-21,26-27H,5-10,15-18H2,1-4H3,(H,35,42)(H,36,41)(H2,33,37,44)/t23-,30+,31-;26?,29-,32?;21-,30+,31-;28-,31+;23-,29+,30-;26-,29+;20?,22?,27-,29+;20-,26+,27-/m01010110/s1
InChIKeySULASQQBAIHUSG-PHCHGNOCSA-N
MW5041.26 g/mol
LogP28.20
Rot. Bonds85

About N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide

N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 167667121) has the molecular formula C266H360F7N53O34S2 and a molecular weight of 5041.26 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide
PubChem CID167667121
Molecular FormulaC266H360F7N53O34S2
Molecular Weight5041.26 g/mol
Exact Mass5037.74
IUPAC NameN-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C2CCCCC2)cc1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2csc3ccncc23)C2CCCCC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=O)C(NC(=O)c2ccnn2CC)C2CCc3ccccc3C2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2coc3ccccc23)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2conc2CC)C2CCC(C)CC2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)NC)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2ccc(C)s2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C35H46FN7O4S.C35H44FN7O4.C34H43FN6O4S.C34H42FN5O5.C33H49N7O4.C32H46FN7O4.C32H45FN6O5.C31H45FN8O4/c1-5-43-28(15-16-37-43)32(44)40-31(24-9-7-6-8-10-24)34(46)38-27-13-12-25(21-26(27)36)23(3)30(35(47)42-19-17-41(4)18-20-42)39-33(45)29-14-11-22(2)48-29;1-4-31(44)38-29(35(47)42-18-16-41(3)17-19-42)21-23-10-13-28(27(36)20-23)39-34(46)32(40-33(45)30-14-15-37-43(30)5-2)26-12-11-24-8-6-7-9-25(24)22-26;1-4-29(42)38-30(34(45)41-16-14-40(3)15-17-41)21(2)23-10-11-27(26(35)18-23)37-33(44)31(22-8-6-5-7-9-22)39-32(43)25-20-46-28-12-13-36-19-24(25)28;1-3-30(41)36-28(34(44)40-17-15-39(2)16-18-40)20-22-13-14-27(26(35)19-22)37-33(43)31(23-9-5-4-6-10-23)38-32(42)25-21-45-29-12-8-7-11-24(25)29;1-6-28(41)36-29(33(44)39-20-18-38(5)19-21-39)23(4)24-12-14-26(15-13-24)35-32(43)30(25-10-8-7-9-11-25)37-31(42)27-16-17-34-40(27)22(2)3;1-5-28(41)35-26(32(44)39-17-15-38(4)16-18-39)20-22-11-12-25(24(33)19-22)36-31(43)29(23-9-7-6-8-10-23)37-30(42)27-13-14-34-40(27)21(2)3;1-5-25-23(19-44-37-25)30(41)36-29(22-10-7-20(3)8-11-22)31(42)35-26-12-9-21(17-24(26)33)18-27(34-28(40)6-2)32(43)39-15-13-38(4)14-16-39;1-5-40-25(13-14-34-40)28(41)36-27(21-9-7-6-8-10-21)29(42)35-24-12-11-22(19-23(24)32)20(2)26(37-31(44)33-3)30(43)39-17-15-38(4)16-18-39/h11-16,21,23-24,30-31H,5-10,17-20H2,1-4H3,(H,38,46)(H,39,45)(H,40,44);6-10,13-15,20,26,29,32H,4-5,11-12,16-19,21-22H2,1-3H3,(H,38,44)(H,39,46)(H,40,45);10-13,18-22,30-31H,4-9,14-17H2,1-3H3,(H,37,44)(H,38,42)(H,39,43);7-8,11-14,19,21,23,28,31H,3-6,9-10,15-18,20H2,1-2H3,(H,36,41)(H,37,43)(H,38,42);12-17,22-23,25,29-30H,6-11,18-21H2,1-5H3,(H,35,43)(H,36,41)(H,37,42);11-14,19,21,23,26,29H,5-10,15-18,20H2,1-4H3,(H,35,41)(H,36,43)(H,37,42);9,12,17,19-20,22,27,29H,5-8,10-11,13-16,18H2,1-4H3,(H,34,40)(H,35,42)(H,36,41);11-14,19-21,26-27H,5-10,15-18H2,1-4H3,(H,35,42)(H,36,41)(H2,33,37,44)/t23-,30+,31-;26?,29-,32?;21-,30+,31-;28-,31+;23-,29+,30-;26-,29+;20?,22?,27-,29+;20-,26+,27-/m01010110/s1
InChIKeySULASQQBAIHUSG-PHCHGNOCSA-N
XLogP28.20
TPSA1039.99 Ų
H-Bond Donors25
H-Bond Acceptors56
Rotatable Bonds85
Heavy Atoms362
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005041.26
LogP ≤ 528.20
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1056

Analyze N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide (CID 167667121) is N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)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)c2ccnn2C(C)C)C2CCCCC2)cc1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2csc3ccncc23)C2CCCCC2)c(F)c1.CCC(=O)N[C@H](Cc1ccc(NC(=O)C(NC(=O)c2ccnn2CC)C2CCc3ccccc3C2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2coc3ccccc23)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2conc2CC)C2CCC(C)CC2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)NC)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2ccc(C)s2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is SULASQQBAIHUSG-PHCHGNOCSA-N. The full InChI is InChI=1S/C35H46FN7O4S.C35H44FN7O4.C34H43FN6O4S.C34H42FN5O5.C33H49N7O4.C32H46FN7O4.C32H45FN6O5.C31H45FN8O4/c1-5-43-28(15-16-37-43)32(44)40-31(24-9-7-6-8-10-24)34(46)38-27-13-12-25(21-26(27)36)23(3)30(35(47)42-19-17-41(4)18-20-42)39-33(45)29-14-11-22(2)48-29;1-4-31(44)38-29(35(47)42-18-16-41(3)17-19-42)21-23-10-13-28(27(36)20-23)39-34(46)32(40-33(45)30-14-15-37-43(30)5-2)26-12-11-24-8-6-7-9-25(24)22-26;1-4-29(42)38-30(34(45)41-16-14-40(3)15-17-41)21(2)23-10-11-27(26(35)18-23)37-33(44)31(22-8-6-5-7-9-22)39-32(43)25-20-46-28-12-13-36-19-24(25)28;1-3-30(41)36-28(34(44)40-17-15-39(2)16-18-40)20-22-13-14-27(26(35)19-22)37-33(43)31(23-9-5-4-6-10-23)38-32(42)25-21-45-29-12-8-7-11-24(25)29;1-6-28(41)36-29(33(44)39-20-18-38(5)19-21-39)23(4)24-12-14-26(15-13-24)35-32(43)30(25-10-8-7-9-11-25)37-31(42)27-16-17-34-40(27)22(2)3;1-5-28(41)35-26(32(44)39-17-15-38(4)16-18-39)20-22-11-12-25(24(33)19-22)36-31(43)29(23-9-7-6-8-10-23)37-30(42)27-13-14-34-40(27)21(2)3;1-5-25-23(19-44-37-25)30(41)36-29(22-10-7-20(3)8-11-22)31(42)35-26-12-9-21(17-24(26)33)18-27(34-28(40)6-2)32(43)39-15-13-38(4)14-16-39;1-5-40-25(13-14-34-40)28(41)36-27(21-9-7-6-8-10-21)29(42)35-24-12-11-22(19-23(24)32)20(2)26(37-31(44)33-3)30(43)39-17-15-38(4)16-18-39/h11-16,21,23-24,30-31H,5-10,17-20H2,1-4H3,(H,38,46)(H,39,45)(H,40,44);6-10,13-15,20,26,29,32H,4-5,11-12,16-19,21-22H2,1-3H3,(H,38,44)(H,39,46)(H,40,45);10-13,18-22,30-31H,4-9,14-17H2,1-3H3,(H,37,44)(H,38,42)(H,39,43);7-8,11-14,19,21,23,28,31H,3-6,9-10,15-18,20H2,1-2H3,(H,36,41)(H,37,43)(H,38,42);12-17,22-23,25,29-30H,6-11,18-21H2,1-5H3,(H,35,43)(H,36,41)(H,37,42);11-14,19,21,23,26,29H,5-10,15-18,20H2,1-4H3,(H,35,41)(H,36,43)(H,37,42);9,12,17,19-20,22,27,29H,5-8,10-11,13-16,18H2,1-4H3,(H,34,40)(H,35,42)(H,36,41);11-14,19-21,26-27H,5-10,15-18H2,1-4H3,(H,35,42)(H,36,41)(H2,33,37,44)/t23-,30+,31-;26?,29-,32?;21-,30+,31-;28-,31+;23-,29+,30-;26-,29+;20?,22?,27-,29+;20-,26+,27-/m01010110/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide?
N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 5041.26 g/mol, XLogP of 28.20, 85 rotatable bonds, 25 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-3-(methylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-3-[(5-methylthiophene-2-carbonyl)amino]-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]thieno[3,2-c]pyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-benzofuran-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide;3-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2-oxazole-4-carboxamide;2-ethyl-N-[2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 167667121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).