About 2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-(4-fluorophenyl)pentanamide;N-[(2R,3S)-3-[3-fluoro-4-[(3S)-3-(4-methylcyclohexyl)-3-[[2-(oxetan-3-yl)pyrazole-3-carbonyl]amino]-2-oxopropyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-(4-methoxy-1,2,5-oxadiazol-3-yl)-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-(1,2,5-oxadiazol-3-yl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)butanamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide
2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-(4-fluorophenyl)pentanamide;N-[(2R,3S)-3-[3-fluoro-4-[(3S)-3-(4-methylcyclohexyl)-3-[[2-(oxetan-3-yl)pyrazole-3-carbonyl]amino]-2-oxopropyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-(4-methoxy-1,2,5-oxadiazol-3-yl)-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-(1,2,5-oxadiazol-3-yl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)butanamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 162024889) has the molecular formula C265H353F9N56O41S4
and a molecular weight of 5278.34 g/mol. Its IUPAC name is 2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-(4-fluorophenyl)pentanamide;N-[(2R,3S)-3-[3-fluoro-4-[(3S)-3-(4-methylcyclohexyl)-3-[[2-(oxetan-3-yl)pyrazole-3-carbonyl]amino]-2-oxopropyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-(4-methoxy-1,2,5-oxadiazol-3-yl)-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-(1,2,5-oxadiazol-3-yl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)butanamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-(4-fluorophenyl)pentanamide;N-[(2R,3S)-3-[3-fluoro-4-[(3S)-3-(4-methylcyclohexyl)-3-[[2-(oxetan-3-yl)pyrazole-3-carbonyl]amino]-2-oxopropyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-(4-methoxy-1,2,5-oxadiazol-3-yl)-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-(1,2,5-oxadiazol-3-yl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)butanamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-(4-fluorophenyl)pentanamide;N-[(2R,3S)-3-[3-fluoro-4-[(3S)-3-(4-methylcyclohexyl)-3-[[2-(oxetan-3-yl)pyrazole-3-carbonyl]amino]-2-oxopropyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-(4-methoxy-1,2,5-oxadiazol-3-yl)-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-(1,2,5-oxadiazol-3-yl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)butanamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide (CID 162024889) is 2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-(4-fluorophenyl)pentanamide;N-[(2R,3S)-3-[3-fluoro-4-[(3S)-3-(4-methylcyclohexyl)-3-[[2-(oxetan-3-yl)pyrazole-3-carbonyl]amino]-2-oxopropyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-(4-methoxy-1,2,5-oxadiazol-3-yl)-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-(1,2,5-oxadiazol-3-yl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)butanamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-(4-fluorophenyl)pentanamide;N-[(2R,3S)-3-[3-fluoro-4-[(3S)-3-(4-methylcyclohexyl)-3-[[2-(oxetan-3-yl)pyrazole-3-carbonyl]amino]-2-oxopropyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-(4-methoxy-1,2,5-oxadiazol-3-yl)-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-(1,2,5-oxadiazol-3-yl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)butanamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-(4-fluorophenyl)pentanamide;N-[(2R,3S)-3-[3-fluoro-4-[(3S)-3-(4-methylcyclohexyl)-3-[[2-(oxetan-3-yl)pyrazole-3-carbonyl]amino]-2-oxopropyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-(4-methoxy-1,2,5-oxadiazol-3-yl)-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-(1,2,5-oxadiazol-3-yl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)butanamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide is CC1CCC([C@H](NC(=O)c2ccnn2C2COC2)C(=O)Cc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)CC1.CC1CCC([C@H](NC(=O)c2cnon2)C(=O)Cc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)CC1.CC1CCC([C@H](NC(=O)c2nonc2C(C)C)C(=O)Cc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)CC1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)C(CC(=O)c2ccnn2CC)C(CC)c2ccc(F)cc2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)c2cnon2)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)c2nonc2C(C)C)C2CCC(C)CC2)c(F)c1.CCC(=O)N[C@@H](C(=O)N1CCN(C)CC1)[C@@H](C)c1ccc(NC(=O)[C@@H](CC(=O)c2nonc2OC)C2CCC(C)CC2)c(F)c1.COc1nonc1C(=O)N[C@H](C(=O)Cc1ccc([C@H](C)[C@@H](NC(=O)c2cnns2)C(=O)N2CCN(C)CC2)cc1F)C1CCC(C)CC1.
What is the InChIKey of 2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-(4-fluorophenyl)pentanamide;N-[(2R,3S)-3-[3-fluoro-4-[(3S)-3-(4-methylcyclohexyl)-3-[[2-(oxetan-3-yl)pyrazole-3-carbonyl]amino]-2-oxopropyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-(4-methoxy-1,2,5-oxadiazol-3-yl)-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-(1,2,5-oxadiazol-3-yl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)butanamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is YVFWNIXTBMBHBP-BCOCXHLYSA-N. The full InChI is InChI=1S/C36H46F2N6O4.C35H45FN8O5S.C34H45FN8O5S.C34H49FN6O5.C32H41FN8O6S.C32H45FN6O6.C31H39FN8O5S.C31H43FN6O5/c1-6-27(24-9-12-26(37)13-10-24)28(22-32(45)31-15-16-39-44(31)8-3)35(47)40-30-14-11-25(21-29(30)38)23(4)34(41-33(46)7-2)36(48)43-19-17-42(5)18-20-43;1-21-4-6-23(7-5-21)32(40-33(46)28-10-11-38-44(28)26-19-49-20-26)29(45)17-25-9-8-24(16-27(25)36)22(2)31(39-34(47)30-18-37-41-50-30)35(48)43-14-12-42(3)13-15-43;1-19(2)28-31(40-48-39-28)33(46)38-30(22-8-6-20(3)7-9-22)26(44)17-24-11-10-23(16-25(24)35)21(4)29(37-32(45)27-18-36-41-49-27)34(47)43-14-12-42(5)13-15-43;1-7-29(43)37-31(34(45)41-16-14-40(6)15-17-41)22(5)24-12-13-27(26(35)18-24)36-33(44)25(23-10-8-21(4)9-11-23)19-28(42)32-30(20(2)3)38-46-39-32;1-18-5-7-20(8-6-18)27(36-30(44)28-31(46-4)38-47-37-28)24(42)16-22-10-9-21(15-23(22)33)19(2)26(35-29(43)25-17-34-39-48-25)32(45)41-13-11-40(3)12-14-41;1-6-27(41)35-28(32(43)39-15-13-38(4)14-16-39)20(3)22-11-12-25(24(33)17-22)34-30(42)23(21-9-7-19(2)8-10-21)18-26(40)29-31(44-5)37-45-36-29;1-18-4-6-20(7-5-18)28(36-29(42)24-16-34-45-37-24)25(41)15-22-9-8-21(14-23(22)32)19(2)27(35-30(43)26-17-33-38-46-26)31(44)40-12-10-39(3)11-13-40;1-5-28(40)35-29(31(42)38-14-12-37(4)13-15-38)20(3)22-10-11-25(24(32)16-22)34-30(41)23(21-8-6-19(2)7-9-21)17-27(39)26-18-33-43-36-26/h9-16,21,23,27-28,34H,6-8,17-20,22H2,1-5H3,(H,40,47)(H,41,46);8-11,16,18,21-23,26,31-32H,4-7,12-15,17,19-20H2,1-3H3,(H,39,47)(H,40,46);10-11,16,18-22,29-30H,6-9,12-15,17H2,1-5H3,(H,37,45)(H,38,46);12-13,18,20-23,25,31H,7-11,14-17,19H2,1-6H3,(H,36,44)(H,37,43);9-10,15,17-20,26-27H,5-8,11-14,16H2,1-4H3,(H,35,43)(H,36,44);11-12,17,19-21,23,28H,6-10,13-16,18H2,1-5H3,(H,34,42)(H,35,41);8-9,14,16-20,27-28H,4-7,10-13,15H2,1-3H3,(H,35,43)(H,36,42);10-11,16,18-21,23,29H,5-9,12-15,17H2,1-4H3,(H,34,41)(H,35,40)/t23-,27?,28?,34+;21?,22-,23?,31+,32-;20?,21-,22?,29+,30-;21?,22-,23?,25-,31+;18?,19-,20?,26+,27-;19?,20-,21?,23-,28+;18?,19-,20?,27+,28-;19?,20-,21?,23-,29+/m00000000/s1.
What are the key properties of 2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-(4-fluorophenyl)pentanamide;N-[(2R,3S)-3-[3-fluoro-4-[(3S)-3-(4-methylcyclohexyl)-3-[[2-(oxetan-3-yl)pyrazole-3-carbonyl]amino]-2-oxopropyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-(4-methoxy-1,2,5-oxadiazol-3-yl)-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-(1,2,5-oxadiazol-3-yl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)butanamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide?
2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-(4-fluorophenyl)pentanamide;N-[(2R,3S)-3-[3-fluoro-4-[(3S)-3-(4-methylcyclohexyl)-3-[[2-(oxetan-3-yl)pyrazole-3-carbonyl]amino]-2-oxopropyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-(4-methoxy-1,2,5-oxadiazol-3-yl)-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-(1,2,5-oxadiazol-3-yl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)butanamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 5278.34 g/mol, XLogP of 28.42, 96 rotatable bonds, 16 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylpyrazol-3-yl)-2-oxoethyl]-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-3-(4-fluorophenyl)pentanamide;N-[(2R,3S)-3-[3-fluoro-4-[(3S)-3-(4-methylcyclohexyl)-3-[[2-(oxetan-3-yl)pyrazole-3-carbonyl]amino]-2-oxopropyl]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-4-(4-methoxy-1,2,5-oxadiazol-3-yl)-2-(4-methylcyclohexyl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-(1,2,5-oxadiazol-3-yl)-4-oxobutanamide;(2S)-N-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]phenyl]-2-(4-methylcyclohexyl)-4-oxo-4-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)butanamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-methoxy-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-1,2,5-oxadiazole-3-carboxamide;N-[(1S)-3-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(thiadiazole-5-carbonylamino)butan-2-yl]phenyl]-1-(4-methylcyclohexyl)-2-oxopropyl]-4-propan-2-yl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 162024889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).