C106H106Cl3F6N17O10S — CID 160885442
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;6-methoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide (PubChem CID 160885442) has the molecular formula C106H106Cl3F6N17O10S and a molecular weight of 2030.54 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;6-methoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-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;6-methoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 160885442 |
| Molecular Formula | C106H106Cl3F6N17O10S |
| Molecular Weight | 2030.54 g/mol |
| Exact Mass | 2027.70 |
| 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;6-methoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-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)NC3(c4ccccc4)CC3)[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 |
| InChI | InChI=1S/C19H22ClN3O2.C19H18N2O2.C18H22ClN3O3S.C18H15F3N2O.C16H14ClN3O.C16H15F3N4O/c1-12(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;1-23-15-8-7-13-11-17(20-16(13)12-15)18(22)21-19(9-10-19)14-5-3-2-4-6-14;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/h2-3,10-11,14,21H,4-9H2,1H3,(H,22,25);2-8,11-12,20H,9-10H2,1H3,(H,21,22);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;;;11-;10-;/m...11./s1 |
| InChIKey | SNONOMGOCBWCFQ-ZOTDHNBASA-N |
| XLogP | 21.49 |
| TPSA | 366.97 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 143 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2030.54 |
| LogP ≤ 5 | 21.49 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 13 |