C145H141Cl3F9N19O13S — CID 161427646
N-[1-(1-acetylpiperidin-4-yl)cyclopropyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylsulfonylpiperidin-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-(1-phenylcyclopropyl)ethanone;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 161427646) has the molecular formula C145H141Cl3F9N19O13S and a molecular weight of 2667.25 g/mol. Its IUPAC name is N-[1-(1-acetylpiperidin-4-yl)cyclopropyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylsulfonylpiperidin-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-(1-phenylcyclopropyl)ethanone;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide.
| Compound Name | N-[1-(1-acetylpiperidin-4-yl)cyclopropyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylsulfonylpiperidin-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-(1-phenylcyclopropyl)ethanone;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 161427646 |
| Molecular Formula | C145H141Cl3F9N19O13S |
| Molecular Weight | 2667.25 g/mol |
| Exact Mass | 2663.96 |
| IUPAC Name | N-[1-(1-acetylpiperidin-4-yl)cyclopropyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylsulfonylpiperidin-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-(1-phenylcyclopropyl)ethanone;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide |
| SMILES | CC(=O)N1CCC(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1.CC(NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)c1cnn(C)c1.COc1ccc2cc(C(=O)CC3(c4ccccc4)CC3)[nH]c2c1.COc1ccc2cc(C(=O)C[C@H](C)c3ccccc3)[nH]c2c1.CS(=O)(=O)N1CCC(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)CC1.C[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Cl)cnc2[nH]1)c1ccccc1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(C(F)(F)F)ccc2[nH]1 |
| InChI | InChI=1S/C20H19NO2.C19H22ClN3O2.C19H15F3N2O.C19H19NO2.C18H22ClN3O3S.C18H15F3N2O.C16H14ClN3O.C16H15F3N4O/c1-23-16-8-7-14-11-18(21-17(14)12-16)19(22)13-20(9-10-20)15-5-3-2-4-6-15;1-12(24)23-8-4-14(5-9-23)19(6-7-19)22-18(25)17-11-13-10-15(20)2-3-16(13)21-17;20-19(21,22)14-6-7-15-12(10-14)11-16(23-15)17(25)24-18(8-9-18)13-4-2-1-3-5-13;1-13(14-6-4-3-5-7-14)10-19(21)18-11-15-8-9-16(22-2)12-17(15)20-18;1-26(24,25)22-8-4-13(5-9-22)18(6-7-18)21-17(23)16-11-12-10-14(19)2-3-15(12)20-16;1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(18(19,20)21)7-8-15(13)23-16;1-10(11-5-3-2-4-6-11)19-16(21)14-8-12-7-13(17)9-18-15(12)20-14;1-9(11-7-20-23(2)8-11)21-15(24)14-6-10-5-12(16(17,18)19)3-4-13(10)22-14/h2-8,11-12,21H,9-10,13H2,1H3;2-3,10-11,14,21H,4-9H2,1H3,(H,22,25);1-7,10-11,23H,8-9H2,(H,24,25);3-9,11-13,20H,10H2,1-2H3;2-3,10-11,13,20H,4-9H2,1H3,(H,21,23);2-11,23H,1H3,(H,22,24);2-10H,1H3,(H,18,20)(H,19,21);3-9,22H,1-2H3,(H,21,24)/t;;;13-;;11-;10-;/m...0.11./s1 |
| InChIKey | VXOSXPLWPPIKOI-UIMHQXTKSA-N |
| XLogP | 31.53 |
| TPSA | 441.92 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 190 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2667.25 |
| LogP ≤ 5 | 31.53 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 16 |