N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide

C274H385F11N62O38S2 — CID 167658917

IUPACN-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)C(OC)c1ccc(NC(=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(NC(=O)c2ccnn2CC)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(NC(=O)c2nonc2CC)C(C)C2CCC(C)CC2)c(F)c1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)NC2CC2)C(=O)N2CCN(C)CC2)cc1)C1CCCCC1.COc1ccc(C(F)(F)C(=O)N[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.COc1ncc(C(F)(F)C(=O)N[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.[2H]C([2H])([2H])C1CCC(C(NC(=O)c2nonc2CC)C(=O)Nc2ccc([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)Nc2ccc([C@H](C)[C@@H](NC(=O)N(C)C3CC3)C(=O)N3CCN(C)[C@H](C)C3)cc2F)CC1
InChIInChI=1S/C35H43F3N8O5S.2C35H51FN8O5.C35H52FN7O4.C34H42F3N9O5S.C34H50FN7O5.C33H48FN7O5.C33H48N8O4/c1-20-5-7-22(8-6-20)30(43-34(50)35(37,38)24-10-12-28(51-4)39-18-24)32(48)41-26-11-9-23(17-25(26)36)21(2)29(42-31(47)27-19-40-44-52-27)33(49)46-15-13-45(3)14-16-46;2*1-7-27-31(41-49-40-27)33(46)38-30(23-10-8-20(2)9-11-23)32(45)37-28-15-12-24(18-26(28)36)22(4)29(39-35(48)43(6)25-13-14-25)34(47)44-17-16-42(5)21(3)19-44;1-7-30(44)39-32(35(47)42-19-17-41(6)18-20-42)24(5)26-13-14-28(27(36)21-26)38-34(46)31(23(4)25-11-9-22(3)10-12-25)40-33(45)29-15-16-37-43(29)8-2;1-19-5-7-21(8-6-19)28(43-32(50)34(36,37)23-16-38-33(51-4)39-17-23)30(48)41-25-10-9-22(15-24(25)35)20(2)27(42-29(47)26-18-40-44-52-26)31(49)46-13-11-45(3)12-14-46;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;1-6-27(42)37-29(33(45)40-18-16-39(4)17-19-40)30(46-5)23-12-13-25(24(34)20-23)36-32(44)28(22-10-8-21(3)9-11-22)38-31(43)26-14-15-35-41(26)7-2;1-4-41-27(16-17-34-41)30(42)37-29(24-8-6-5-7-9-24)31(43)35-25-12-10-23(11-13-25)22(2)28(38-33(45)36-26-14-15-26)32(44)40-20-18-39(3)19-21-40/h9-12,17-22,29-30H,5-8,13-16H2,1-4H3,(H,41,48)(H,42,47)(H,43,50);2*12,15,18,20-23,25,29-30H,7-11,13-14,16-17,19H2,1-6H3,(H,37,45)(H,38,46)(H,39,48);13-16,21-25,31-32H,7-12,17-20H2,1-6H3,(H,38,46)(H,39,44)(H,40,45);9-10,15-21,27-28H,5-8,11-14H2,1-4H3,(H,41,48)(H,42,47)(H,43,50);13-14,19-23,29-30H,7-12,15-18H2,1-6H3,(H,36,44)(H,37,43)(H,38,45);12-15,20-22,28-30H,6-11,16-19H2,1-5H3,(H,36,44)(H,37,42)(H,38,43);10-13,16-17,22,24,26,28-29H,4-9,14-15,18-21H2,1-3H3,(H,35,43)(H,37,42)(H2,36,38,45)/t20?,21-,22?,29+,30-;2*20?,21-,22+,23?,29-,30?;22?,23?,24-,25?,31?,32+;19?,20-,21?,27+,28-;20?,21?,22-,23?,29?,30+;21?,22?,28-,29+,30?;22-,28+,29-/m01100000/s1/i;2*2D3;;;;;
InChIKeyRRALITOVNVZFKD-FHIZZDSESA-N
MW5434.64 g/mol
LogP28.18
Rot. Bonds95

About N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide

N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide (PubChem CID 167658917) has the molecular formula C274H385F11N62O38S2 and a molecular weight of 5434.64 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide
PubChem CID167658917
Molecular FormulaC274H385F11N62O38S2
Molecular Weight5434.64 g/mol
Exact Mass5430.97
IUPAC NameN-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)C(OC)c1ccc(NC(=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(NC(=O)c2ccnn2CC)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(NC(=O)c2nonc2CC)C(C)C2CCC(C)CC2)c(F)c1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)NC2CC2)C(=O)N2CCN(C)CC2)cc1)C1CCCCC1.COc1ccc(C(F)(F)C(=O)N[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.COc1ncc(C(F)(F)C(=O)N[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.[2H]C([2H])([2H])C1CCC(C(NC(=O)c2nonc2CC)C(=O)Nc2ccc([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)Nc2ccc([C@H](C)[C@@H](NC(=O)N(C)C3CC3)C(=O)N3CCN(C)[C@H](C)C3)cc2F)CC1
InChIInChI=1S/C35H43F3N8O5S.2C35H51FN8O5.C35H52FN7O4.C34H42F3N9O5S.C34H50FN7O5.C33H48FN7O5.C33H48N8O4/c1-20-5-7-22(8-6-20)30(43-34(50)35(37,38)24-10-12-28(51-4)39-18-24)32(48)41-26-11-9-23(17-25(26)36)21(2)29(42-31(47)27-19-40-44-52-27)33(49)46-15-13-45(3)14-16-46;2*1-7-27-31(41-49-40-27)33(46)38-30(23-10-8-20(2)9-11-23)32(45)37-28-15-12-24(18-26(28)36)22(4)29(39-35(48)43(6)25-13-14-25)34(47)44-17-16-42(5)21(3)19-44;1-7-30(44)39-32(35(47)42-19-17-41(6)18-20-42)24(5)26-13-14-28(27(36)21-26)38-34(46)31(23(4)25-11-9-22(3)10-12-25)40-33(45)29-15-16-37-43(29)8-2;1-19-5-7-21(8-6-19)28(43-32(50)34(36,37)23-16-38-33(51-4)39-17-23)30(48)41-25-10-9-22(15-24(25)35)20(2)27(42-29(47)26-18-40-44-52-26)31(49)46-13-11-45(3)12-14-46;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;1-6-27(42)37-29(33(45)40-18-16-39(4)17-19-40)30(46-5)23-12-13-25(24(34)20-23)36-32(44)28(22-10-8-21(3)9-11-22)38-31(43)26-14-15-35-41(26)7-2;1-4-41-27(16-17-34-41)30(42)37-29(24-8-6-5-7-9-24)31(43)35-25-12-10-23(11-13-25)22(2)28(38-33(45)36-26-14-15-26)32(44)40-20-18-39(3)19-21-40/h9-12,17-22,29-30H,5-8,13-16H2,1-4H3,(H,41,48)(H,42,47)(H,43,50);2*12,15,18,20-23,25,29-30H,7-11,13-14,16-17,19H2,1-6H3,(H,37,45)(H,38,46)(H,39,48);13-16,21-25,31-32H,7-12,17-20H2,1-6H3,(H,38,46)(H,39,44)(H,40,45);9-10,15-21,27-28H,5-8,11-14H2,1-4H3,(H,41,48)(H,42,47)(H,43,50);13-14,19-23,29-30H,7-12,15-18H2,1-6H3,(H,36,44)(H,37,43)(H,38,45);12-15,20-22,28-30H,6-11,16-19H2,1-5H3,(H,36,44)(H,37,42)(H,38,43);10-13,16-17,22,24,26,28-29H,4-9,14-15,18-21H2,1-3H3,(H,35,43)(H,37,42)(H2,36,38,45)/t20?,21-,22?,29+,30-;2*20?,21-,22+,23?,29-,30?;22?,23?,24-,25?,31?,32+;19?,20-,21?,27+,28-;20?,21?,22-,23?,29?,30+;21?,22?,28-,29+,30?;22-,28+,29-/m01100000/s1/i;2*2D3;;;;;
InChIKeyRRALITOVNVZFKD-FHIZZDSESA-N
XLogP28.18
TPSA1193.45 Ų
H-Bond Donors25
H-Bond Acceptors67
Rotatable Bonds95
Heavy Atoms387
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005434.64
LogP ≤ 528.18
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1067

Analyze N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide (CID 167658917) is N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide is CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)C(OC)c1ccc(NC(=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(NC(=O)c2ccnn2CC)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(NC(=O)c2nonc2CC)C(C)C2CCC(C)CC2)c(F)c1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)NC2CC2)C(=O)N2CCN(C)CC2)cc1)C1CCCCC1.COc1ccc(C(F)(F)C(=O)N[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.COc1ncc(C(F)(F)C(=O)N[C@H](C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)C2CCC(C)CC2)cn1.[2H]C([2H])([2H])C1CCC(C(NC(=O)c2nonc2CC)C(=O)Nc2ccc([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)Nc2ccc([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 N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide?
The InChIKey is RRALITOVNVZFKD-FHIZZDSESA-N. The full InChI is InChI=1S/C35H43F3N8O5S.2C35H51FN8O5.C35H52FN7O4.C34H42F3N9O5S.C34H50FN7O5.C33H48FN7O5.C33H48N8O4/c1-20-5-7-22(8-6-20)30(43-34(50)35(37,38)24-10-12-28(51-4)39-18-24)32(48)41-26-11-9-23(17-25(26)36)21(2)29(42-31(47)27-19-40-44-52-27)33(49)46-15-13-45(3)14-16-46;2*1-7-27-31(41-49-40-27)33(46)38-30(23-10-8-20(2)9-11-23)32(45)37-28-15-12-24(18-26(28)36)22(4)29(39-35(48)43(6)25-13-14-25)34(47)44-17-16-42(5)21(3)19-44;1-7-30(44)39-32(35(47)42-19-17-41(6)18-20-42)24(5)26-13-14-28(27(36)21-26)38-34(46)31(23(4)25-11-9-22(3)10-12-25)40-33(45)29-15-16-37-43(29)8-2;1-19-5-7-21(8-6-19)28(43-32(50)34(36,37)23-16-38-33(51-4)39-17-23)30(48)41-25-10-9-22(15-24(25)35)20(2)27(42-29(47)26-18-40-44-52-26)31(49)46-13-11-45(3)12-14-46;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;1-6-27(42)37-29(33(45)40-18-16-39(4)17-19-40)30(46-5)23-12-13-25(24(34)20-23)36-32(44)28(22-10-8-21(3)9-11-22)38-31(43)26-14-15-35-41(26)7-2;1-4-41-27(16-17-34-41)30(42)37-29(24-8-6-5-7-9-24)31(43)35-25-12-10-23(11-13-25)22(2)28(38-33(45)36-26-14-15-26)32(44)40-20-18-39(3)19-21-40/h9-12,17-22,29-30H,5-8,13-16H2,1-4H3,(H,41,48)(H,42,47)(H,43,50);2*12,15,18,20-23,25,29-30H,7-11,13-14,16-17,19H2,1-6H3,(H,37,45)(H,38,46)(H,39,48);13-16,21-25,31-32H,7-12,17-20H2,1-6H3,(H,38,46)(H,39,44)(H,40,45);9-10,15-21,27-28H,5-8,11-14H2,1-4H3,(H,41,48)(H,42,47)(H,43,50);13-14,19-23,29-30H,7-12,15-18H2,1-6H3,(H,36,44)(H,37,43)(H,38,45);12-15,20-22,28-30H,6-11,16-19H2,1-5H3,(H,36,44)(H,37,42)(H,38,43);10-13,16-17,22,24,26,28-29H,4-9,14-15,18-21H2,1-3H3,(H,35,43)(H,37,42)(H2,36,38,45)/t20?,21-,22?,29+,30-;2*20?,21-,22+,23?,29-,30?;22?,23?,24-,25?,31?,32+;19?,20-,21?,27+,28-;20?,21?,22-,23?,29?,30+;21?,22?,28-,29+,30?;22-,28+,29-/m01100000/s1/i;2*2D3;;;;;.
What are the key properties of N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide?
N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide has a molecular weight of 5434.64 g/mol, XLogP of 28.18, 95 rotatable bonds, 25 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-[4-[(2S,3R)-3-(cyclopropylcarbamoylamino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;bis(N-[2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-2-oxo-1-[4-(trideuteriomethyl)cyclohexyl]ethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide);N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(2-methoxypyrimidin-5-yl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-1-methoxy-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]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;2-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]pyrazole-3-carboxamide is sourced from PubChem (CID 167658917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).