(2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide

C278H388F10N52O39 — CID 160713182

IUPAC(2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)C(OC)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(CC(=O)c2ccnn2CC)C(C)C2CCC(F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(NC(=O)c2nonc2CC)C(C)C2CCC(C)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@H](OC)c2ccc(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)c2nonc2CC)[C@H](OC)c2ccc(F)cc2)c(F)c1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)NC2CC2)C(=O)N2CCN(C)CC2)cc1)C1CCCCC1.[2H]C([2H])([2H])C1CCC(C(NC(=O)c2nonc2CC)C(=O)Cc2ccc([C@H](C)[C@@H](NC(=O)N(C)C3CC3)C(=O)N3CCN(C)[C@H](C)C3)cc2F)CC1.[2H]C([2H])([2H])C1CCC(C(NC(=O)c2nonc2CC)C(=O)Cc2ccc([C@H](C)[C@@H](NC(=O)N(C)C3CC3)C(=O)N3CCN(C)[C@H](C)C3)cc2F)CC1
InChIInChI=1S/2C36H52FN7O5.C35H44F2N6O5.C35H50F2N6O4.C34H42F2N6O6.C34H50FN7O5.C34H49FN6O5.C34H49N7O4/c2*1-7-29-33(41-49-40-29)34(46)38-32(24-10-8-21(2)9-11-24)30(45)19-26-13-12-25(18-28(26)37)23(4)31(39-36(48)43(6)27-14-15-27)35(47)44-17-16-42(5)22(3)20-44;1-6-31(45)40-32(35(47)42-18-16-41(4)17-19-42)22(3)24-10-13-28(27(37)20-24)39-34(46)26(21-30(44)29-14-15-38-43(29)7-2)33(48-5)23-8-11-25(36)12-9-23;1-6-32(45)40-33(35(47)42-18-16-41(5)17-19-42)23(4)25-10-13-29(28(37)20-25)39-34(46)27(22(3)24-8-11-26(36)12-9-24)21-31(44)30-14-15-38-43(30)7-2;1-6-26-31(40-48-39-26)28(43)19-24(32(47-5)21-8-11-23(35)12-9-21)33(45)37-27-13-10-22(18-25(27)36)20(3)30(38-29(44)7-2)34(46)42-16-14-41(4)15-17-42;1-7-26-31(40-47-39-26)33(45)38-29(21(4)23-11-9-20(3)10-12-23)32(44)36-27-14-13-24(19-25(27)35)22(5)30(37-28(43)8-2)34(46)42-17-15-41(6)16-18-42;1-6-29(43)37-31(34(45)40-18-16-39(4)17-19-40)32(46-5)25-13-12-24(26(35)20-25)21-28(42)30(23-10-8-22(3)9-11-23)38-33(44)27-14-15-36-41(27)7-2;1-4-41-29(16-17-35-41)30(42)22-28(25-8-6-5-7-9-25)32(43)36-26-12-10-24(11-13-26)23(2)31(38-34(45)37-27-14-15-27)33(44)40-20-18-39(3)19-21-40/h2*12-13,18,21-24,27,31-32H,7-11,14-17,19-20H2,1-6H3,(H,38,46)(H,39,48);8-15,20,22,26,32-33H,6-7,16-19,21H2,1-5H3,(H,39,46)(H,40,45);10,13-15,20,22-24,26-27,33H,6-9,11-12,16-19,21H2,1-5H3,(H,39,46)(H,40,45);8-13,18,20,24,30,32H,6-7,14-17,19H2,1-5H3,(H,37,45)(H,38,44);13-14,19-23,29-30H,7-12,15-18H2,1-6H3,(H,36,44)(H,37,43)(H,38,45);12-15,20,22-23,30-32H,6-11,16-19,21H2,1-5H3,(H,37,43)(H,38,44);10-13,16-17,23,25,27-28,31H,4-9,14-15,18-22H2,1-3H3,(H,36,43)(H2,37,38,45)/t2*21?,22-,23+,24?,31-,32?;22-,26-,32+,33+;22?,23-,24?,26?,27?,33+;20-,24-,30+,32+;20?,21?,22-,23?,29?,30+;22?,23?,30-,31+,32?;23-,28-,31+/m11000000/s1/i2*2D3;;;;;;
InChIKeyRSCYCNHKDXEJCV-LSOAHFMESA-N
MW5278.50 g/mol
LogP31.66
Rot. Bonds104

About (2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide

(2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide (PubChem CID 160713182) has the molecular formula C278H388F10N52O39 and a molecular weight of 5278.50 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide
PubChem CID160713182
Molecular FormulaC278H388F10N52O39
Molecular Weight5278.50 g/mol
Exact Mass5275.02
IUPAC Name(2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)C(OC)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(CC(=O)c2ccnn2CC)C(C)C2CCC(F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(NC(=O)c2nonc2CC)C(C)C2CCC(C)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@H](OC)c2ccc(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)c2nonc2CC)[C@H](OC)c2ccc(F)cc2)c(F)c1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)NC2CC2)C(=O)N2CCN(C)CC2)cc1)C1CCCCC1.[2H]C([2H])([2H])C1CCC(C(NC(=O)c2nonc2CC)C(=O)Cc2ccc([C@H](C)[C@@H](NC(=O)N(C)C3CC3)C(=O)N3CCN(C)[C@H](C)C3)cc2F)CC1.[2H]C([2H])([2H])C1CCC(C(NC(=O)c2nonc2CC)C(=O)Cc2ccc([C@H](C)[C@@H](NC(=O)N(C)C3CC3)C(=O)N3CCN(C)[C@H](C)C3)cc2F)CC1
InChIInChI=1S/2C36H52FN7O5.C35H44F2N6O5.C35H50F2N6O4.C34H42F2N6O6.C34H50FN7O5.C34H49FN6O5.C34H49N7O4/c2*1-7-29-33(41-49-40-29)34(46)38-32(24-10-8-21(2)9-11-24)30(45)19-26-13-12-25(18-28(26)37)23(4)31(39-36(48)43(6)27-14-15-27)35(47)44-17-16-42(5)22(3)20-44;1-6-31(45)40-32(35(47)42-18-16-41(4)17-19-42)22(3)24-10-13-28(27(37)20-24)39-34(46)26(21-30(44)29-14-15-38-43(29)7-2)33(48-5)23-8-11-25(36)12-9-23;1-6-32(45)40-33(35(47)42-18-16-41(5)17-19-42)23(4)25-10-13-29(28(37)20-25)39-34(46)27(22(3)24-8-11-26(36)12-9-24)21-31(44)30-14-15-38-43(30)7-2;1-6-26-31(40-48-39-26)28(43)19-24(32(47-5)21-8-11-23(35)12-9-21)33(45)37-27-13-10-22(18-25(27)36)20(3)30(38-29(44)7-2)34(46)42-16-14-41(4)15-17-42;1-7-26-31(40-47-39-26)33(45)38-29(21(4)23-11-9-20(3)10-12-23)32(44)36-27-14-13-24(19-25(27)35)22(5)30(37-28(43)8-2)34(46)42-17-15-41(6)16-18-42;1-6-29(43)37-31(34(45)40-18-16-39(4)17-19-40)32(46-5)25-13-12-24(26(35)20-25)21-28(42)30(23-10-8-22(3)9-11-23)38-33(44)27-14-15-36-41(27)7-2;1-4-41-29(16-17-35-41)30(42)22-28(25-8-6-5-7-9-25)32(43)36-26-12-10-24(11-13-26)23(2)31(38-34(45)37-27-14-15-27)33(44)40-20-18-39(3)19-21-40/h2*12-13,18,21-24,27,31-32H,7-11,14-17,19-20H2,1-6H3,(H,38,46)(H,39,48);8-15,20,22,26,32-33H,6-7,16-19,21H2,1-5H3,(H,39,46)(H,40,45);10,13-15,20,22-24,26-27,33H,6-9,11-12,16-19,21H2,1-5H3,(H,39,46)(H,40,45);8-13,18,20,24,30,32H,6-7,14-17,19H2,1-5H3,(H,37,45)(H,38,44);13-14,19-23,29-30H,7-12,15-18H2,1-6H3,(H,36,44)(H,37,43)(H,38,45);12-15,20,22-23,30-32H,6-11,16-19,21H2,1-5H3,(H,37,43)(H,38,44);10-13,16-17,23,25,27-28,31H,4-9,14-15,18-22H2,1-3H3,(H,36,43)(H2,37,38,45)/t2*21?,22-,23+,24?,31-,32?;22-,26-,32+,33+;22?,23-,24?,26?,27?,33+;20-,24-,30+,32+;20?,21?,22-,23?,29?,30+;22?,23?,30-,31+,32?;23-,28-,31+/m11000000/s1/i2*2D3;;;;;;
InChIKeyRSCYCNHKDXEJCV-LSOAHFMESA-N
XLogP31.66
TPSA1075.75 Ų
H-Bond Donors18
H-Bond Acceptors63
Rotatable Bonds104
Heavy Atoms379
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005278.50
LogP ≤ 531.66
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1063

Analyze (2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide?
The IUPAC name of (2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide (CID 160713182) is (2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide.
What is the SMILES notation for (2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide?
The canonical SMILES for (2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide is CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)C(OC)c1ccc(CC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(CC(=O)c2ccnn2CC)C(C)C2CCC(F)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(NC(=O)c2nonc2CC)C(C)C2CCC(C)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@H](OC)c2ccc(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)c2nonc2CC)[C@H](OC)c2ccc(F)cc2)c(F)c1.CCn1nccc1C(=O)C[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)NC2CC2)C(=O)N2CCN(C)CC2)cc1)C1CCCCC1.[2H]C([2H])([2H])C1CCC(C(NC(=O)c2nonc2CC)C(=O)Cc2ccc([C@H](C)[C@@H](NC(=O)N(C)C3CC3)C(=O)N3CCN(C)[C@H](C)C3)cc2F)CC1.[2H]C([2H])([2H])C1CCC(C(NC(=O)c2nonc2CC)C(=O)Cc2ccc([C@H](C)[C@@H](NC(=O)N(C)C3CC3)C(=O)N3CCN(C)[C@H](C)C3)cc2F)CC1.
What is the InChIKey of (2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide?
The InChIKey is RSCYCNHKDXEJCV-LSOAHFMESA-N. The full InChI is InChI=1S/2C36H52FN7O5.C35H44F2N6O5.C35H50F2N6O4.C34H42F2N6O6.C34H50FN7O5.C34H49FN6O5.C34H49N7O4/c2*1-7-29-33(41-49-40-29)34(46)38-32(24-10-8-21(2)9-11-24)30(45)19-26-13-12-25(18-28(26)37)23(4)31(39-36(48)43(6)27-14-15-27)35(47)44-17-16-42(5)22(3)20-44;1-6-31(45)40-32(35(47)42-18-16-41(4)17-19-42)22(3)24-10-13-28(27(37)20-24)39-34(46)26(21-30(44)29-14-15-38-43(29)7-2)33(48-5)23-8-11-25(36)12-9-23;1-6-32(45)40-33(35(47)42-18-16-41(5)17-19-42)23(4)25-10-13-29(28(37)20-25)39-34(46)27(22(3)24-8-11-26(36)12-9-24)21-31(44)30-14-15-38-43(30)7-2;1-6-26-31(40-48-39-26)28(43)19-24(32(47-5)21-8-11-23(35)12-9-21)33(45)37-27-13-10-22(18-25(27)36)20(3)30(38-29(44)7-2)34(46)42-16-14-41(4)15-17-42;1-7-26-31(40-47-39-26)33(45)38-29(21(4)23-11-9-20(3)10-12-23)32(44)36-27-14-13-24(19-25(27)35)22(5)30(37-28(43)8-2)34(46)42-17-15-41(6)16-18-42;1-6-29(43)37-31(34(45)40-18-16-39(4)17-19-40)32(46-5)25-13-12-24(26(35)20-25)21-28(42)30(23-10-8-22(3)9-11-23)38-33(44)27-14-15-36-41(27)7-2;1-4-41-29(16-17-35-41)30(42)22-28(25-8-6-5-7-9-25)32(43)36-26-12-10-24(11-13-26)23(2)31(38-34(45)37-27-14-15-27)33(44)40-20-18-39(3)19-21-40/h2*12-13,18,21-24,27,31-32H,7-11,14-17,19-20H2,1-6H3,(H,38,46)(H,39,48);8-15,20,22,26,32-33H,6-7,16-19,21H2,1-5H3,(H,39,46)(H,40,45);10,13-15,20,22-24,26-27,33H,6-9,11-12,16-19,21H2,1-5H3,(H,39,46)(H,40,45);8-13,18,20,24,30,32H,6-7,14-17,19H2,1-5H3,(H,37,45)(H,38,44);13-14,19-23,29-30H,7-12,15-18H2,1-6H3,(H,36,44)(H,37,43)(H,38,45);12-15,20,22-23,30-32H,6-11,16-19,21H2,1-5H3,(H,37,43)(H,38,44);10-13,16-17,23,25,27-28,31H,4-9,14-15,18-22H2,1-3H3,(H,36,43)(H2,37,38,45)/t2*21?,22-,23+,24?,31-,32?;22-,26-,32+,33+;22?,23-,24?,26?,27?,33+;20-,24-,30+,32+;20?,21?,22-,23?,29?,30+;22?,23?,30-,31+,32?;23-,28-,31+/m11000000/s1/i2*2D3;;;;;;.
What are the key properties of (2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide?
(2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide has a molecular weight of 5278.50 g/mol, XLogP of 31.66, 104 rotatable bonds, 18 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-N-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]phenyl]-4-(2-ethylpyrazol-3-yl)-4-oxobutanamide;bis(N-[3-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluorophenyl]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]propyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);2-ethyl-N-[(1S)-3-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]pyrazole-3-carboxamide;4-ethyl-N-[1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-3-(4-methylcyclohexyl)-1-oxobutan-2-yl]-1,2,5-oxadiazole-3-carboxamide;(2S)-4-(4-ethyl-1,2,5-oxadiazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide;4-(2-ethylpyrazol-3-yl)-2-[1-(4-fluorocyclohexyl)ethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-oxobutanamide;(2S)-4-(2-ethylpyrazol-3-yl)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-[(S)-(4-fluorophenyl)-methoxymethyl]-4-oxobutanamide is sourced from PubChem (CID 160713182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).