N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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

C265H354F15N49O38S — CID 167591373

IUPACN-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C2CCC(F)(F)CC2)cc1.CCC(=O)N[C@H](Cc1cc(F)c(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)cc1F)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)c2ccc(O)cc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)c2cccc(O)c2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)C2(c3ccc(OC)nc3)CC2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2cccc(NS(C)(=O)=O)c2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2coc3cc(F)ccc23)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](NC(=O)NC2CCC2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C35H47FN6O5.C34H41F2N5O5.2C33H42F3N5O5.C33H47F2N7O4.C33H47FN8O4.C33H45FN6O6S.C31H43F2N7O4/c1-4-29(43)38-28(33(45)42-18-16-41(2)17-19-42)21-23-10-12-27(26(36)20-23)39-32(44)31(24-8-6-5-7-9-24)40-34(46)35(14-15-35)25-11-13-30(47-3)37-22-25;1-3-30(42)37-28(34(45)41-15-13-40(2)14-16-41)18-21-9-12-27(26(36)17-21)38-33(44)31(22-7-5-4-6-8-22)39-32(43)25-20-46-29-19-23(35)10-11-24(25)29;1-3-28(43)37-27(31(45)41-16-14-40(2)15-17-41)19-21-12-13-26(25(34)18-21)38-30(44)29(22-8-5-4-6-9-22)39-32(46)33(35,36)23-10-7-11-24(42)20-23;1-3-28(43)37-27(31(45)41-17-15-40(2)16-18-41)20-21-9-14-26(25(34)19-21)38-30(44)29(22-7-5-4-6-8-22)39-32(46)33(35,36)23-10-12-24(42)13-11-23;1-6-27(43)38-28(32(46)41-19-17-40(5)18-20-41)22(4)23-7-9-25(10-8-23)37-31(45)29(24-11-14-33(34,35)15-12-24)39-30(44)26-13-16-36-42(26)21(2)3;1-3-42-28(14-15-35-42)30(43)39-29(23-8-5-4-6-9-23)31(44)37-26-13-12-22(20-25(26)34)21-27(38-33(46)36-24-10-7-11-24)32(45)41-18-16-40(2)17-19-41;1-4-29(41)35-28(33(44)40-17-15-39(2)16-18-40)20-22-13-14-27(26(34)19-22)36-32(43)30(23-9-6-5-7-10-23)37-31(42)24-11-8-12-25(21-24)38-47(3,45)46;1-4-27(41)35-25(31(44)39-15-13-38(3)14-16-39)18-21-17-23(33)24(19-22(21)32)36-30(43)28(20-9-7-6-8-10-20)37-29(42)26-11-12-34-40(26)5-2/h10-13,20,22,24,28,31H,4-9,14-19,21H2,1-3H3,(H,38,43)(H,39,44)(H,40,46);9-12,17,19-20,22,28,31H,3-8,13-16,18H2,1-2H3,(H,37,42)(H,38,44)(H,39,43);7,10-13,18,20,22,27,29,42H,3-6,8-9,14-17,19H2,1-2H3,(H,37,43)(H,38,44)(H,39,46);9-14,19,22,27,29,42H,3-8,15-18,20H2,1-2H3,(H,37,43)(H,38,44)(H,39,46);7-10,13,16,21-22,24,28-29H,6,11-12,14-15,17-20H2,1-5H3,(H,37,45)(H,38,43)(H,39,44);12-15,20,23-24,27,29H,3-11,16-19,21H2,1-2H3,(H,37,44)(H,39,43)(H2,36,38,46);8,11-14,19,21,23,28,30,38H,4-7,9-10,15-18,20H2,1-3H3,(H,35,41)(H,36,43)(H,37,42);11-12,17,19-20,25,28H,4-10,13-16,18H2,1-3H3,(H,35,41)(H,36,43)(H,37,42)/t2*28-,31+;2*27-,29+;22-,28+,29-;27-,29+;28-,30+;25-,28+/m11110111/s1
InChIKeyIMDUUMQPPIDQAD-KMINHQLISA-N
MW5151.09 g/mol
LogP26.62
Rot. Bonds89

About N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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

N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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 (PubChem CID 167591373) has the molecular formula C265H354F15N49O38S and a molecular weight of 5151.09 g/mol. Its IUPAC name is N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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.

Molecular Properties

Compound NameN-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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
PubChem CID167591373
Molecular FormulaC265H354F15N49O38S
Molecular Weight5151.09 g/mol
Exact Mass5147.68
IUPAC NameN-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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
SMILESCCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C2CCC(F)(F)CC2)cc1.CCC(=O)N[C@H](Cc1cc(F)c(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)cc1F)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)c2ccc(O)cc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)c2cccc(O)c2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)C2(c3ccc(OC)nc3)CC2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2cccc(NS(C)(=O)=O)c2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2coc3cc(F)ccc23)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](NC(=O)NC2CCC2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C35H47FN6O5.C34H41F2N5O5.2C33H42F3N5O5.C33H47F2N7O4.C33H47FN8O4.C33H45FN6O6S.C31H43F2N7O4/c1-4-29(43)38-28(33(45)42-18-16-41(2)17-19-42)21-23-10-12-27(26(36)20-23)39-32(44)31(24-8-6-5-7-9-24)40-34(46)35(14-15-35)25-11-13-30(47-3)37-22-25;1-3-30(42)37-28(34(45)41-15-13-40(2)14-16-41)18-21-9-12-27(26(36)17-21)38-33(44)31(22-7-5-4-6-8-22)39-32(43)25-20-46-29-19-23(35)10-11-24(25)29;1-3-28(43)37-27(31(45)41-16-14-40(2)15-17-41)19-21-12-13-26(25(34)18-21)38-30(44)29(22-8-5-4-6-9-22)39-32(46)33(35,36)23-10-7-11-24(42)20-23;1-3-28(43)37-27(31(45)41-17-15-40(2)16-18-41)20-21-9-14-26(25(34)19-21)38-30(44)29(22-7-5-4-6-8-22)39-32(46)33(35,36)23-10-12-24(42)13-11-23;1-6-27(43)38-28(32(46)41-19-17-40(5)18-20-41)22(4)23-7-9-25(10-8-23)37-31(45)29(24-11-14-33(34,35)15-12-24)39-30(44)26-13-16-36-42(26)21(2)3;1-3-42-28(14-15-35-42)30(43)39-29(23-8-5-4-6-9-23)31(44)37-26-13-12-22(20-25(26)34)21-27(38-33(46)36-24-10-7-11-24)32(45)41-18-16-40(2)17-19-41;1-4-29(41)35-28(33(44)40-17-15-39(2)16-18-40)20-22-13-14-27(26(34)19-22)36-32(43)30(23-9-6-5-7-10-23)37-31(42)24-11-8-12-25(21-24)38-47(3,45)46;1-4-27(41)35-25(31(44)39-15-13-38(3)14-16-39)18-21-17-23(33)24(19-22(21)32)36-30(43)28(20-9-7-6-8-10-20)37-29(42)26-11-12-34-40(26)5-2/h10-13,20,22,24,28,31H,4-9,14-19,21H2,1-3H3,(H,38,43)(H,39,44)(H,40,46);9-12,17,19-20,22,28,31H,3-8,13-16,18H2,1-2H3,(H,37,42)(H,38,44)(H,39,43);7,10-13,18,20,22,27,29,42H,3-6,8-9,14-17,19H2,1-2H3,(H,37,43)(H,38,44)(H,39,46);9-14,19,22,27,29,42H,3-8,15-18,20H2,1-2H3,(H,37,43)(H,38,44)(H,39,46);7-10,13,16,21-22,24,28-29H,6,11-12,14-15,17-20H2,1-5H3,(H,37,45)(H,38,43)(H,39,44);12-15,20,23-24,27,29H,3-11,16-19,21H2,1-2H3,(H,37,44)(H,39,43)(H2,36,38,46);8,11-14,19,21,23,28,30,38H,4-7,9-10,15-18,20H2,1-3H3,(H,35,41)(H,36,43)(H,37,42);11-12,17,19-20,25,28H,4-10,13-16,18H2,1-3H3,(H,35,41)(H,36,43)(H,37,42)/t2*28-,31+;2*27-,29+;22-,28+,29-;27-,29+;28-,30+;25-,28+/m11110111/s1
InChIKeyIMDUUMQPPIDQAD-KMINHQLISA-N
XLogP26.62
TPSA1074.18 Ų
H-Bond Donors28
H-Bond Acceptors53
Rotatable Bonds89
Heavy Atoms368
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005151.09
LogP ≤ 526.62
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1053

Analyze N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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?
The IUPAC name of N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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 (CID 167591373) is N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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.
What is the SMILES notation for N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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?
The canonical SMILES for N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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 is CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C2CCC(F)(F)CC2)cc1.CCC(=O)N[C@H](Cc1cc(F)c(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)cc1F)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)c2ccc(O)cc2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)c2cccc(O)c2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)C2(c3ccc(OC)nc3)CC2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2cccc(NS(C)(=O)=O)c2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2coc3cc(F)ccc23)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](NC(=O)NC2CCC2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.
What is the InChIKey of N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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?
The InChIKey is IMDUUMQPPIDQAD-KMINHQLISA-N. The full InChI is InChI=1S/C35H47FN6O5.C34H41F2N5O5.2C33H42F3N5O5.C33H47F2N7O4.C33H47FN8O4.C33H45FN6O6S.C31H43F2N7O4/c1-4-29(43)38-28(33(45)42-18-16-41(2)17-19-42)21-23-10-12-27(26(36)20-23)39-32(44)31(24-8-6-5-7-9-24)40-34(46)35(14-15-35)25-11-13-30(47-3)37-22-25;1-3-30(42)37-28(34(45)41-15-13-40(2)14-16-41)18-21-9-12-27(26(36)17-21)38-33(44)31(22-7-5-4-6-8-22)39-32(43)25-20-46-29-19-23(35)10-11-24(25)29;1-3-28(43)37-27(31(45)41-16-14-40(2)15-17-41)19-21-12-13-26(25(34)18-21)38-30(44)29(22-8-5-4-6-9-22)39-32(46)33(35,36)23-10-7-11-24(42)20-23;1-3-28(43)37-27(31(45)41-17-15-40(2)16-18-41)20-21-9-14-26(25(34)19-21)38-30(44)29(22-7-5-4-6-8-22)39-32(46)33(35,36)23-10-12-24(42)13-11-23;1-6-27(43)38-28(32(46)41-19-17-40(5)18-20-41)22(4)23-7-9-25(10-8-23)37-31(45)29(24-11-14-33(34,35)15-12-24)39-30(44)26-13-16-36-42(26)21(2)3;1-3-42-28(14-15-35-42)30(43)39-29(23-8-5-4-6-9-23)31(44)37-26-13-12-22(20-25(26)34)21-27(38-33(46)36-24-10-7-11-24)32(45)41-18-16-40(2)17-19-41;1-4-29(41)35-28(33(44)40-17-15-39(2)16-18-40)20-22-13-14-27(26(34)19-22)36-32(43)30(23-9-6-5-7-10-23)37-31(42)24-11-8-12-25(21-24)38-47(3,45)46;1-4-27(41)35-25(31(44)39-15-13-38(3)14-16-39)18-21-17-23(33)24(19-22(21)32)36-30(43)28(20-9-7-6-8-10-20)37-29(42)26-11-12-34-40(26)5-2/h10-13,20,22,24,28,31H,4-9,14-19,21H2,1-3H3,(H,38,43)(H,39,44)(H,40,46);9-12,17,19-20,22,28,31H,3-8,13-16,18H2,1-2H3,(H,37,42)(H,38,44)(H,39,43);7,10-13,18,20,22,27,29,42H,3-6,8-9,14-17,19H2,1-2H3,(H,37,43)(H,38,44)(H,39,46);9-14,19,22,27,29,42H,3-8,15-18,20H2,1-2H3,(H,37,43)(H,38,44)(H,39,46);7-10,13,16,21-22,24,28-29H,6,11-12,14-15,17-20H2,1-5H3,(H,37,45)(H,38,43)(H,39,44);12-15,20,23-24,27,29H,3-11,16-19,21H2,1-2H3,(H,37,44)(H,39,43)(H2,36,38,46);8,11-14,19,21,23,28,30,38H,4-7,9-10,15-18,20H2,1-3H3,(H,35,41)(H,36,43)(H,37,42);11-12,17,19-20,25,28H,4-10,13-16,18H2,1-3H3,(H,35,41)(H,36,43)(H,37,42)/t2*28-,31+;2*27-,29+;22-,28+,29-;27-,29+;28-,30+;25-,28+/m11110111/s1.
What are the key properties of N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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?
N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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 has a molecular weight of 5151.09 g/mol, XLogP of 26.62, 89 rotatable bonds, 28 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[4-[(2R)-2-(cyclobutylcarbamoylamino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(3-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(4-hydroxyphenyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide;N-[(1S)-1-cyclohexyl-2-[2,5-difluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-6-fluoro-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]-3-(methanesulfonamido)benzamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-1-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide;N-[(1S)-1-(4,4-difluorocyclohexyl)-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 is sourced from PubChem (CID 167591373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).