N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide

C263H346F11N65O32S — CID 167678654

IUPACN-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide
SMILESCCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN2CCCC[C@@H]2C1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1C[C@@H]2C[C@H]1CN2C.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)c2cccc3ccccc23)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2cnc(C(=O)NC)s2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2cnn3c2CCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](NC(=O)c2cn(C)cn2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](Nc2nc(N)nc(C(F)(F)F)n2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](Nc2ncc(C#N)c(OC)n2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C35H40FN7O4.C34H43FN10O4.C34H48FN7O4.C33H44FN9O4.C32H41F4N11O3.2C32H44FN7O4.C31H42FN7O5S/c1-4-31(44)38-29(35(47)42-19-17-41(3)18-20-42)22-23-13-14-28(27(36)21-23)39-34(46)32(40-33(45)30-15-16-37-43(30)5-2)26-12-8-10-24-9-6-7-11-25(24)26;1-4-45-28(12-13-38-45)30(46)41-29(23-8-6-5-7-9-23)31(47)39-26-11-10-22(18-25(26)35)19-27(33(48)44-16-14-43(2)15-17-44)40-34-37-21-24(20-36)32(42-34)49-3;1-3-30(43)37-28(34(46)41-19-18-40-17-9-8-12-25(40)22-41)21-23-13-14-27(26(35)20-23)38-33(45)31(24-10-6-5-7-11-24)39-32(44)29-15-16-36-42(29)4-2;1-4-43-28(12-13-36-43)31(45)39-29(23-8-6-5-7-9-23)32(46)37-25-11-10-22(18-24(25)34)19-26(33(47)42-16-14-40(2)15-17-42)38-30(44)27-20-41(3)21-35-27;1-3-47-24(11-12-38-47)26(48)41-25(20-7-5-4-6-8-20)27(49)39-22-10-9-19(17-21(22)33)18-23(28(50)46-15-13-45(2)14-16-46)40-31-43-29(32(34,35)36)42-30(37)44-31;1-4-28(41)35-26(32(44)39-19-22-17-23(39)18-38(22)3)16-20-11-12-25(24(33)15-20)36-31(43)29(21-9-7-6-8-10-21)37-30(42)27-13-14-34-40(27)5-2;1-3-28(41)35-26(32(44)39-16-14-38(2)15-17-39)19-21-11-12-25(24(33)18-21)36-31(43)29(22-8-5-4-6-9-22)37-30(42)23-20-34-40-13-7-10-27(23)40;1-4-25(40)35-23(31(44)39-14-12-38(3)13-15-39)17-19-10-11-22(21(32)16-19)36-28(42)26(20-8-6-5-7-9-20)37-27(41)24-18-34-30(45-24)29(43)33-2/h6-16,21,29,32H,4-5,17-20,22H2,1-3H3,(H,38,44)(H,39,46)(H,40,45);10-13,18,21,23,27,29H,4-9,14-17,19H2,1-3H3,(H,39,47)(H,41,46)(H,37,40,42);13-16,20,24-25,28,31H,3-12,17-19,21-22H2,1-2H3,(H,37,43)(H,38,45)(H,39,44);10-13,18,20-21,23,26,29H,4-9,14-17,19H2,1-3H3,(H,37,46)(H,38,44)(H,39,45);9-12,17,20,23,25H,3-8,13-16,18H2,1-2H3,(H,39,49)(H,41,48)(H3,37,40,42,43,44);11-15,21-23,26,29H,4-10,16-19H2,1-3H3,(H,35,41)(H,36,43)(H,37,42);11-12,18,20,22,26,29H,3-10,13-17,19H2,1-2H3,(H,35,41)(H,36,43)(H,37,42);10-11,16,18,20,23,26H,4-9,12-15,17H2,1-3H3,(H,33,43)(H,35,40)(H,36,42)(H,37,41)/t29-,32+;27-,29+;25-,28-,31+;26-,29+;23-,25+;22-,23-,26+,29-;26-,29+;23-,26+/m11111011/s1
InChIKeyVESSKXLMIXSOSS-OFZZNWGCSA-N
MW5171.13 g/mol
LogP22.37
Rot. Bonds88

About N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide

N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide (PubChem CID 167678654) has the molecular formula C263H346F11N65O32S and a molecular weight of 5171.13 g/mol. Its IUPAC name is N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide
PubChem CID167678654
Molecular FormulaC263H346F11N65O32S
Molecular Weight5171.13 g/mol
Exact Mass5167.70
IUPAC NameN-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide
SMILESCCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN2CCCC[C@@H]2C1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1C[C@@H]2C[C@H]1CN2C.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)c2cccc3ccccc23)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2cnc(C(=O)NC)s2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2cnn3c2CCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](NC(=O)c2cn(C)cn2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](Nc2nc(N)nc(C(F)(F)F)n2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](Nc2ncc(C#N)c(OC)n2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1
InChIInChI=1S/C35H40FN7O4.C34H43FN10O4.C34H48FN7O4.C33H44FN9O4.C32H41F4N11O3.2C32H44FN7O4.C31H42FN7O5S/c1-4-31(44)38-29(35(47)42-19-17-41(3)18-20-42)22-23-13-14-28(27(36)21-23)39-34(46)32(40-33(45)30-15-16-37-43(30)5-2)26-12-8-10-24-9-6-7-11-25(24)26;1-4-45-28(12-13-38-45)30(46)41-29(23-8-6-5-7-9-23)31(47)39-26-11-10-22(18-25(26)35)19-27(33(48)44-16-14-43(2)15-17-44)40-34-37-21-24(20-36)32(42-34)49-3;1-3-30(43)37-28(34(46)41-19-18-40-17-9-8-12-25(40)22-41)21-23-13-14-27(26(35)20-23)38-33(45)31(24-10-6-5-7-11-24)39-32(44)29-15-16-36-42(29)4-2;1-4-43-28(12-13-36-43)31(45)39-29(23-8-6-5-7-9-23)32(46)37-25-11-10-22(18-24(25)34)19-26(33(47)42-16-14-40(2)15-17-42)38-30(44)27-20-41(3)21-35-27;1-3-47-24(11-12-38-47)26(48)41-25(20-7-5-4-6-8-20)27(49)39-22-10-9-19(17-21(22)33)18-23(28(50)46-15-13-45(2)14-16-46)40-31-43-29(32(34,35)36)42-30(37)44-31;1-4-28(41)35-26(32(44)39-19-22-17-23(39)18-38(22)3)16-20-11-12-25(24(33)15-20)36-31(43)29(21-9-7-6-8-10-21)37-30(42)27-13-14-34-40(27)5-2;1-3-28(41)35-26(32(44)39-16-14-38(2)15-17-39)19-21-11-12-25(24(33)18-21)36-31(43)29(22-8-5-4-6-9-22)37-30(42)23-20-34-40-13-7-10-27(23)40;1-4-25(40)35-23(31(44)39-14-12-38(3)13-15-39)17-19-10-11-22(21(32)16-19)36-28(42)26(20-8-6-5-7-9-20)37-27(41)24-18-34-30(45-24)29(43)33-2/h6-16,21,29,32H,4-5,17-20,22H2,1-3H3,(H,38,44)(H,39,46)(H,40,45);10-13,18,21,23,27,29H,4-9,14-17,19H2,1-3H3,(H,39,47)(H,41,46)(H,37,40,42);13-16,20,24-25,28,31H,3-12,17-19,21-22H2,1-2H3,(H,37,43)(H,38,45)(H,39,44);10-13,18,20-21,23,26,29H,4-9,14-17,19H2,1-3H3,(H,37,46)(H,38,44)(H,39,45);9-12,17,20,23,25H,3-8,13-16,18H2,1-2H3,(H,39,49)(H,41,48)(H3,37,40,42,43,44);11-15,21-23,26,29H,4-10,16-19H2,1-3H3,(H,35,41)(H,36,43)(H,37,42);11-12,18,20,22,26,29H,3-10,13-17,19H2,1-2H3,(H,35,41)(H,36,43)(H,37,42);10-11,16,18,20,23,26H,4-9,12-15,17H2,1-3H3,(H,33,43)(H,35,40)(H,36,42)(H,37,41)/t29-,32+;27-,29+;25-,28-,31+;26-,29+;23-,25+;22-,23-,26+,29-;26-,29+;23-,26+/m11111011/s1
InChIKeyVESSKXLMIXSOSS-OFZZNWGCSA-N
XLogP22.37
TPSA1160.70 Ų
H-Bond Donors26
H-Bond Acceptors67
Rotatable Bonds88
Heavy Atoms372
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005171.13
LogP ≤ 522.37
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1067

Analyze N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]thiadiazole-5-carboxamide;N-[(2R)-3-[4-[[(2S)-2-cyclohexyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]thiadiazole-5-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-2-[[2-(1-methylpiperidin-4-yl)pyrazole-3-carbonyl]amino]-3-oxopropyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(pyrido[3,4-d]pyrimidin-4-ylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 159011175
CID 159682373
CID 159682373

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide (CID 167678654) is N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide is CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1CCN2CCCC[C@@H]2C1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)C2CCCCC2)c(F)c1)C(=O)N1C[C@@H]2C[C@H]1CN2C.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CC)c2cccc3ccccc23)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2cnc(C(=O)NC)s2)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCC(=O)N[C@H](Cc1ccc(NC(=O)[C@@H](NC(=O)c2cnn3c2CCC3)C2CCCCC2)c(F)c1)C(=O)N1CCN(C)CC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](NC(=O)c2cn(C)cn2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](Nc2nc(N)nc(C(F)(F)F)n2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.CCn1nccc1C(=O)N[C@H](C(=O)Nc1ccc(C[C@@H](Nc2ncc(C#N)c(OC)n2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCC1.
What is the InChIKey of N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide?
The InChIKey is VESSKXLMIXSOSS-OFZZNWGCSA-N. The full InChI is InChI=1S/C35H40FN7O4.C34H43FN10O4.C34H48FN7O4.C33H44FN9O4.C32H41F4N11O3.2C32H44FN7O4.C31H42FN7O5S/c1-4-31(44)38-29(35(47)42-19-17-41(3)18-20-42)22-23-13-14-28(27(36)21-23)39-34(46)32(40-33(45)30-15-16-37-43(30)5-2)26-12-8-10-24-9-6-7-11-25(24)26;1-4-45-28(12-13-38-45)30(46)41-29(23-8-6-5-7-9-23)31(47)39-26-11-10-22(18-25(26)35)19-27(33(48)44-16-14-43(2)15-17-44)40-34-37-21-24(20-36)32(42-34)49-3;1-3-30(43)37-28(34(46)41-19-18-40-17-9-8-12-25(40)22-41)21-23-13-14-27(26(35)20-23)38-33(45)31(24-10-6-5-7-11-24)39-32(44)29-15-16-36-42(29)4-2;1-4-43-28(12-13-36-43)31(45)39-29(23-8-6-5-7-9-23)32(46)37-25-11-10-22(18-24(25)34)19-26(33(47)42-16-14-40(2)15-17-42)38-30(44)27-20-41(3)21-35-27;1-3-47-24(11-12-38-47)26(48)41-25(20-7-5-4-6-8-20)27(49)39-22-10-9-19(17-21(22)33)18-23(28(50)46-15-13-45(2)14-16-46)40-31-43-29(32(34,35)36)42-30(37)44-31;1-4-28(41)35-26(32(44)39-19-22-17-23(39)18-38(22)3)16-20-11-12-25(24(33)15-20)36-31(43)29(21-9-7-6-8-10-21)37-30(42)27-13-14-34-40(27)5-2;1-3-28(41)35-26(32(44)39-16-14-38(2)15-17-39)19-21-11-12-25(24(33)18-21)36-31(43)29(22-8-5-4-6-9-22)37-30(42)23-20-34-40-13-7-10-27(23)40;1-4-25(40)35-23(31(44)39-14-12-38(3)13-15-39)17-19-10-11-22(21(32)16-19)36-28(42)26(20-8-6-5-7-9-20)37-27(41)24-18-34-30(45-24)29(43)33-2/h6-16,21,29,32H,4-5,17-20,22H2,1-3H3,(H,38,44)(H,39,46)(H,40,45);10-13,18,21,23,27,29H,4-9,14-17,19H2,1-3H3,(H,39,47)(H,41,46)(H,37,40,42);13-16,20,24-25,28,31H,3-12,17-19,21-22H2,1-2H3,(H,37,43)(H,38,45)(H,39,44);10-13,18,20-21,23,26,29H,4-9,14-17,19H2,1-3H3,(H,37,46)(H,38,44)(H,39,45);9-12,17,20,23,25H,3-8,13-16,18H2,1-2H3,(H,39,49)(H,41,48)(H3,37,40,42,43,44);11-15,21-23,26,29H,4-10,16-19H2,1-3H3,(H,35,41)(H,36,43)(H,37,42);11-12,18,20,22,26,29H,3-10,13-17,19H2,1-2H3,(H,35,41)(H,36,43)(H,37,42);10-11,16,18,20,23,26H,4-9,12-15,17H2,1-3H3,(H,33,43)(H,35,40)(H,36,42)(H,37,41)/t29-,32+;27-,29+;25-,28-,31+;26-,29+;23-,25+;22-,23-,26+,29-;26-,29+;23-,26+/m11111011/s1.
What are the key properties of N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide?
N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide has a molecular weight of 5171.13 g/mol, XLogP of 22.37, 88 rotatable bonds, 26 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[4-[(2R)-3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-oxo-2-(propanoylamino)propyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[[4-amino-6-(trifluoromethyl)-1,3,5-triazin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-2-[4-[(2R)-2-[(5-cyano-4-methoxypyrimidin-2-yl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-fluoroanilino]-1-cyclohexyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide;N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-2-[(1-methylimidazole-4-carbonyl)amino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]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]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide;5-N-[(1S)-1-cyclohexyl-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-2-oxoethyl]-2-N-methyl-1,3-thiazole-2,5-dicarboxamide;2-ethyl-N-[(1S)-2-[2-fluoro-4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]anilino]-1-naphthalen-1-yl-2-oxoethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 167678654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).