3-[4-(5-chloro-3-pyridinyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;5-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxylic acid;5-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one
C139H159Cl5F3N33O11 — CID 158428717
Data last refreshed: (MolForge compound catalog, from PubChem)
About 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;5-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxylic acid;5-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one
3-[4-(5-chloro-3-pyridinyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;5-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxylic acid;5-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 158428717) has the molecular formula C139H159Cl5F3N33O11 and a molecular weight of 2702.28 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;5-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxylic acid;5-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one.
Molecular Properties
| Compound Name | 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;5-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxylic acid;5-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one |
|---|---|
| PubChem CID | 158428717 |
| Molecular Formula | C139H159Cl5F3N33O11 |
| Molecular Weight | 2702.28 g/mol |
| Exact Mass | 2698.13 |
| IUPAC Name | 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;5-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxylic acid;5-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one |
| SMILES | CC1CCC(Cn2c(N3CCCC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC[C@H]3C(F)(F)F)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3[C@@H](C)CCC[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3[C@H](C)CCC[C@H]3C)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 |
| InChI | InChI=1S/C30H32ClN5O3.2C28H34ClN7O2.C27H32ClN7O2.C26H27ClF3N7O2/c1-19-7-9-20(10-8-19)17-36-28-24(14-25(29(37)38)33-27(28)22-13-23(31)16-32-15-22)34-30(36)35-11-12-39-18-26(35)21-5-3-2-4-6-21;1-16-7-9-19(10-8-16)15-35-25-22(32-27(35)36-17(2)5-4-6-18(36)3)12-23(26-33-34-28(37)38-26)31-24(25)20-11-21(29)14-30-13-20;1-16-7-9-19(10-8-16)15-35-25-22(32-27(35)36-17(2)5-4-6-18(36)3)12-23(26-33-28(37)38-34-26)31-24(25)20-11-21(29)14-30-13-20;1-16-6-8-18(9-7-16)15-35-24-21(31-26(35)34-10-4-3-5-17(34)2)12-22(25-32-27(36)37-33-25)30-23(24)19-11-20(28)14-29-13-19;1-14-4-6-15(7-5-14)13-37-22-18(33-24(37)36-8-2-3-20(36)26(28,29)30)10-19(23-34-35-25(38)39-23)32-21(22)16-9-17(27)12-31-11-16/h2-6,13-16,19-20,26H,7-12,17-18H2,1H3,(H,37,38);11-14,16-19H,4-10,15H2,1-3H3,(H,34,37);11-14,16-19H,4-10,15H2,1-3H3,(H,33,34,37);11-14,16-18H,3-10,15H2,1-2H3,(H,32,33,36);9-12,14-15,20H,2-8,13H2,1H3,(H,35,38)/t19?,20?,26-;2*16?,17-,18-,19?;16?,17-,18?;14?,15?,20-/m01010/s1 |
| InChIKey | HBJQBXZFBYXFFE-GVHGGKAHSA-N |
| XLogP | 29.96 |
| TPSA | 516.29 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 191 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2702.28 |
| LogP ≤ 5 | 29.96 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 39 |
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