About (2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methylbenzimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-2-methyl-3-(1-methylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-4-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-5-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(1,5-dimethylimidazol-2-yl)-2,3-dihydroxypropanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydroxypropanamide;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylphenyl)pyrazin-2-yl]propan-1-one;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]propan-1-one;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]propanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3S)-2,3-dihydroxy-3-pyridin-2-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]propanamide;(2R,3R)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methylbenzimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-2-methyl-3-(1-methylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-4-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-5-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(1,5-dimethylimidazol-2-yl)-2,3-dihydroxypropanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydroxypropanamide;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylphenyl)pyrazin-2-yl]propan-1-one;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]propan-1-one;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]propanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3S)-2,3-dihydroxy-3-pyridin-2-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]propanamide;(2R,3R)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (PubChem CID 157217428) has the molecular formula C316H357F12N63O47
and a molecular weight of 6017.70 g/mol. Its IUPAC name is (2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methylbenzimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-2-methyl-3-(1-methylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-4-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-5-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(1,5-dimethylimidazol-2-yl)-2,3-dihydroxypropanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydroxypropanamide;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylphenyl)pyrazin-2-yl]propan-1-one;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]propan-1-one;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]propanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3S)-2,3-dihydroxy-3-pyridin-2-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]propanamide;(2R,3R)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.
Frequently Asked Questions
What is the IUPAC name of (2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methylbenzimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-2-methyl-3-(1-methylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-4-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-5-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(1,5-dimethylimidazol-2-yl)-2,3-dihydroxypropanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydroxypropanamide;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylphenyl)pyrazin-2-yl]propan-1-one;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]propan-1-one;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]propanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3S)-2,3-dihydroxy-3-pyridin-2-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]propanamide;(2R,3R)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The IUPAC name of (2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methylbenzimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-2-methyl-3-(1-methylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-4-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-5-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(1,5-dimethylimidazol-2-yl)-2,3-dihydroxypropanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydroxypropanamide;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylphenyl)pyrazin-2-yl]propan-1-one;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]propan-1-one;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]propanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3S)-2,3-dihydroxy-3-pyridin-2-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]propanamide;(2R,3R)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (CID 157217428) is (2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methylbenzimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-2-methyl-3-(1-methylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-4-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-5-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(1,5-dimethylimidazol-2-yl)-2,3-dihydroxypropanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydroxypropanamide;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylphenyl)pyrazin-2-yl]propan-1-one;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]propan-1-one;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]propanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3S)-2,3-dihydroxy-3-pyridin-2-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]propanamide;(2R,3R)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.
What is the SMILES notation for (2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methylbenzimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-2-methyl-3-(1-methylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-4-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-5-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(1,5-dimethylimidazol-2-yl)-2,3-dihydroxypropanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydroxypropanamide;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylphenyl)pyrazin-2-yl]propan-1-one;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]propan-1-one;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]propanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3S)-2,3-dihydroxy-3-pyridin-2-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]propanamide;(2R,3R)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The canonical SMILES for (2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methylbenzimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-2-methyl-3-(1-methylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-4-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-5-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(1,5-dimethylimidazol-2-yl)-2,3-dihydroxypropanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydroxypropanamide;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylphenyl)pyrazin-2-yl]propan-1-one;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]propan-1-one;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]propanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3S)-2,3-dihydroxy-3-pyridin-2-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]propanamide;(2R,3R)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCCCC1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCCCC1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@@H]1CCC[C@H](C)N1C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(-n2cccn2)cc1.Cc1cnc([C@H](O)[C@@H](O)C(=O)NCC2CCN(c3ccc(F)cc3C#N)CC2)n1C.Cc1nnc([C@H](O)[C@@H](O)C(=O)NCC2CCN(c3ccc(F)cc3C#N)CC2)n1C.Cn1c(-c2ccccc2)cnc1[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1.Cn1c([C@H](O)[C@@H](O)C(=O)NCC2CCN(c3ccc(F)cc3C#N)CC2)nc2ccccc21.Cn1cc(-c2ccccc2)nc1[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1.Cn1ccnc1[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccccc2OC(F)(F)F)CC1.Cn1ccnc1[C@H](O)[C@@H](O)C(=O)NCc1ccc(-n2cccn2)cc1.Cn1ccnc1[C@H](O)[C@@](C)(O)C(=O)NCC1CCN(c2ccc(F)cc2C#N)CC1.O=C(NCc1ccc(-c2ccccc2OC(F)(F)F)cn1)[C@H](O)[C@@H](O)c1ccccn1.O=C([C@H](O)[C@@H](O)c1cncc(-c2ccc(-c3ccccc3)cc2)n1)N1Cc2ccccc2C1.O=C([C@H](O)[C@@H](O)c1cncc(N2CCN(c3ccccc3)CC2)n1)N1Cc2ccccc2C1.
What is the InChIKey of (2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methylbenzimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-2-methyl-3-(1-methylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-4-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-5-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(1,5-dimethylimidazol-2-yl)-2,3-dihydroxypropanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydroxypropanamide;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylphenyl)pyrazin-2-yl]propan-1-one;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]propan-1-one;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]propanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3S)-2,3-dihydroxy-3-pyridin-2-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]propanamide;(2R,3R)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
The InChIKey is ASOUDNPCVLNHNS-WAOGSOJCSA-N. The full InChI is InChI=1S/C27H23N3O3.2C26H28FN5O3.C26H30N4O4.C25H27N5O3.C24H26FN5O3.C22H30N4O4.C21H18F3N3O4.2C21H26FN5O3.C20H25F3N4O4.C20H25FN6O3.C20H26N4O4.C17H19N5O3/c31-25(26(32)27(33)30-16-21-8-4-5-9-22(21)17-30)24-15-28-14-23(29-24)20-12-10-19(11-13-20)18-6-2-1-3-7-18;1-31-16-21(18-5-3-2-4-6-18)30-25(31)23(33)24(34)26(35)29-15-17-9-11-32(12-10-17)22-8-7-20(27)13-19(22)14-28;1-31-22(18-5-3-2-4-6-18)16-29-25(31)23(33)24(34)26(35)30-15-17-9-11-32(12-10-17)21-8-7-20(27)13-19(21)14-28;1-18(19-11-13-21(14-12-19)30-17-7-15-27-30)28-25(33)23(31)24(32)26(34)29-16-6-5-10-22(29)20-8-3-2-4-9-20;31-23(24(32)25(33)30-16-18-6-4-5-7-19(18)17-30)21-14-26-15-22(27-21)29-12-10-28(11-13-29)20-8-2-1-3-9-20;1-29-20-5-3-2-4-18(20)28-23(29)21(31)22(32)24(33)27-14-15-8-10-30(11-9-15)19-7-6-17(25)12-16(19)13-26;1-14-6-4-7-15(2)26(14)22(30)20(28)19(27)21(29)24-16(3)17-8-10-18(11-9-17)25-13-5-12-23-25;22-21(23,24)31-17-7-2-1-5-15(17)13-8-9-14(26-11-13)12-27-20(30)19(29)18(28)16-6-3-4-10-25-16;1-21(30,18(28)19-24-7-10-26(19)2)20(29)25-13-14-5-8-27(9-6-14)17-4-3-16(22)11-15(17)12-23;1-13-11-24-20(26(13)2)18(28)19(29)21(30)25-12-14-5-7-27(8-6-14)17-4-3-16(22)9-15(17)10-23;1-26-11-8-24-18(26)16(28)17(29)19(30)25-12-13-6-9-27(10-7-13)14-4-2-3-5-15(14)31-20(21,22)23;1-12-24-25-19(26(12)2)17(28)18(29)20(30)23-11-13-5-7-27(8-6-13)16-4-3-15(21)9-14(16)10-22;1-14(15-6-8-16(9-7-15)24-13-5-10-21-24)22-19(27)17(25)18(26)20(28)23-11-3-2-4-12-23;1-21-10-8-18-16(21)14(23)15(24)17(25)19-11-12-3-5-13(6-4-12)22-9-2-7-20-22/h1-15,25-26,31-32H,16-17H2;2-8,13,16-17,23-24,33-34H,9-12,15H2,1H3,(H,29,35);2-8,13,16-17,23-24,33-34H,9-12,15H2,1H3,(H,30,35);2-4,7-9,11-15,17-18,22-24,31-32H,5-6,10,16H2,1H3,(H,28,33);1-9,14-15,23-24,31-32H,10-13,16-17H2;2-7,12,15,21-22,31-32H,8-11,14H2,1H3,(H,27,33);5,8-16,19-20,27-28H,4,6-7H2,1-3H3,(H,24,29);1-11,18-19,28-29H,12H2,(H,27,30);3-4,7,10-11,14,18,28,30H,5-6,8-9,13H2,1-2H3,(H,25,29);3-4,9,11,14,18-19,28-29H,5-8,12H2,1-2H3,(H,25,30);2-5,8,11,13,16-17,28-29H,6-7,9-10,12H2,1H3,(H,25,30);3-4,9,13,17-18,28-29H,5-8,11H2,1-2H3,(H,23,30);5-10,13-14,17-18,25-26H,2-4,11-12H2,1H3,(H,22,27);2-10,14-15,23-24H,11H2,1H3,(H,19,25)/t25-,26+;2*23-,24-;18-,22?,23-,24-;23-,24+;21-,22-;14-,15+,16-,19-,20-;18-,19+;18-,21+;18-,19-;16-,17-;17-,18-;14-,17-,18-;14-,15-/m01110110011111/s1.
What are the key properties of (2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methylbenzimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-2-methyl-3-(1-methylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-4-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-5-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(1,5-dimethylimidazol-2-yl)-2,3-dihydroxypropanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydroxypropanamide;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylphenyl)pyrazin-2-yl]propan-1-one;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]propan-1-one;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]propanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3S)-2,3-dihydroxy-3-pyridin-2-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]propanamide;(2R,3R)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?
(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methylbenzimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-2-methyl-3-(1-methylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-4-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-5-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(1,5-dimethylimidazol-2-yl)-2,3-dihydroxypropanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydroxypropanamide;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylphenyl)pyrazin-2-yl]propan-1-one;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]propan-1-one;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]propanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3S)-2,3-dihydroxy-3-pyridin-2-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]propanamide;(2R,3R)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide has a molecular weight of 6017.70 g/mol, XLogP of 25.21, 87 rotatable bonds, 40 hydrogen bond donors, and 93 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methylbenzimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-2-methyl-3-(1-methylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-4-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-3-(1-methyl-5-phenylimidazol-2-yl)propanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(1,5-dimethylimidazol-2-yl)-2,3-dihydroxypropanamide;(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2,3-dihydroxypropanamide;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylphenyl)pyrazin-2-yl]propan-1-one;(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-3-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]propan-1-one;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;(2R,3S)-2,3-dihydroxy-3-(1-methylimidazol-2-yl)-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]propanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylpiperidin-1-yl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3S)-2,3-dihydroxy-3-pyridin-2-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]propanamide;(2R,3R)-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 157217428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).