C170H199Cl5F2N22O9 — CID 158649975
5-chloro-N-[2-(2-cyclopropyl-4-piperidin-1-ylphenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[(2R)-2-hydroxy-2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[(2S)-2-hydroxy-2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[2-(5-piperidin-1-yl-2-pyridinyl)ethyl]-1H-indole-2-carboxamide;3-ethyl-6-fluoro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;3-ethyl-7-fluoro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 158649975) has the molecular formula C170H199Cl5F2N22O9 and a molecular weight of 2909.87 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-cyclopropyl-4-piperidin-1-ylphenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[(2R)-2-hydroxy-2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[(2S)-2-hydroxy-2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[2-(5-piperidin-1-yl-2-pyridinyl)ethyl]-1H-indole-2-carboxamide;3-ethyl-6-fluoro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;3-ethyl-7-fluoro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-[2-(2-cyclopropyl-4-piperidin-1-ylphenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[(2R)-2-hydroxy-2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[(2S)-2-hydroxy-2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[2-(5-piperidin-1-yl-2-pyridinyl)ethyl]-1H-indole-2-carboxamide;3-ethyl-6-fluoro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;3-ethyl-7-fluoro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 158649975 |
| Molecular Formula | C170H199Cl5F2N22O9 |
| Molecular Weight | 2909.87 g/mol |
| Exact Mass | 2905.42 |
| IUPAC Name | 5-chloro-N-[2-(2-cyclopropyl-4-piperidin-1-ylphenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[(2R)-2-hydroxy-2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[(2S)-2-hydroxy-2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[2-(5-piperidin-1-yl-2-pyridinyl)ethyl]-1H-indole-2-carboxamide;3-ethyl-6-fluoro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;3-ethyl-7-fluoro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide |
| SMILES | CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2c(F)cccc12.CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2cc(F)ccc12.CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12.CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cc2C2CC2)[nH]c2ccc(Cl)cc12.CCc1c(C(=O)NCCc2ccc(N3CCCCC3)cn2)[nH]c2ccc(Cl)cc12.CCc1c(C(=O)NC[C@@H](O)c2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12.CCc1c(C(=O)NC[C@H](O)c2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12 |
| InChI | InChI=1S/C27H32ClN3O.2C24H28ClN3O2.C24H28ClN3O.2C24H28FN3O.C23H27ClN4O/c1-2-22-24-16-20(28)9-11-25(24)30-26(22)27(32)29-13-12-19-8-10-21(17-23(19)18-6-7-18)31-14-4-3-5-15-31;2*1-2-19-20-14-17(25)8-11-21(20)27-23(19)24(30)26-15-22(29)16-6-9-18(10-7-16)28-12-4-3-5-13-28;1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28;1-2-20-21-11-8-18(25)16-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28;1-2-19-20-7-6-8-21(25)22(20)27-23(19)24(29)26-14-13-17-9-11-18(12-10-17)28-15-4-3-5-16-28;1-2-19-20-14-16(24)6-9-21(20)27-22(19)23(29)25-11-10-17-7-8-18(15-26-17)28-12-4-3-5-13-28/h8-11,16-18,30H,2-7,12-15H2,1H3,(H,29,32);2*6-11,14,22,27,29H,2-5,12-13,15H2,1H3,(H,26,30);2*6-11,16,27H,2-5,12-15H2,1H3,(H,26,29);6-12,27H,2-5,13-16H2,1H3,(H,26,29);6-9,14-15,27H,2-5,10-13H2,1H3,(H,25,29)/t;2*22-;;;;/m.10..../s1 |
| InChIKey | IBKUNESNIMTWFZ-KMMCOURCSA-N |
| XLogP | 35.65 |
| TPSA | 390.26 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2909.87 |
| LogP ≤ 5 | 35.65 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
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