C107H109BrCl5N19O7 — CID 157356102
5-bromo-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-(4-phenyloxan-4-yl)-1H-indole-2-carboxamide (PubChem CID 157356102) has the molecular formula C107H109BrCl5N19O7 and a molecular weight of 2030.34 g/mol. Its IUPAC name is 5-bromo-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-(4-phenyloxan-4-yl)-1H-indole-2-carboxamide.
| Compound Name | 5-bromo-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-(4-phenyloxan-4-yl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 157356102 |
| Molecular Formula | C107H109BrCl5N19O7 |
| Molecular Weight | 2030.34 g/mol |
| Exact Mass | 2025.64 |
| IUPAC Name | 5-bromo-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-(4-phenyloxan-4-yl)-1H-indole-2-carboxamide |
| SMILES | CC(C)C(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1.CC(NC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1.CCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1.CN1CCC(C(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c2ccccc2)CC1.C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.O=C(NC1(c2ccccc2)CCOCC1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C22H24ClN3O.C20H19ClN2O2.C17H19ClN4O.C17H15ClN2O.C16H17ClN4O.C15H15BrN4O/c1-26-11-9-16(10-12-26)21(15-5-3-2-4-6-15)25-22(27)20-14-17-13-18(23)7-8-19(17)24-20;21-16-6-7-17-14(12-16)13-18(22-17)19(24)23-20(8-10-25-11-9-20)15-4-2-1-3-5-15;1-10(2)16(12-8-19-22(3)9-12)21-17(23)15-7-11-6-13(18)4-5-14(11)20-15;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-3-13(11-8-18-21(2)9-11)20-16(22)15-7-10-6-12(17)4-5-14(10)19-15;1-9(11-7-17-20(2)8-11)18-15(21)14-6-10-5-12(16)3-4-13(10)19-14/h2-8,13-14,16,21,24H,9-12H2,1H3,(H,25,27);1-7,12-13,22H,8-11H2,(H,23,24);4-10,16,20H,1-3H3,(H,21,23);2-11,20H,1H3,(H,19,21);4-9,13,19H,3H2,1-2H3,(H,20,22);3-9,19H,1-2H3,(H,18,21)/t;;;11-;;/m...1../s1 |
| InChIKey | BICGDWPDFQFLNA-ISXKTASQSA-N |
| XLogP | 23.48 |
| TPSA | 335.27 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 139 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2030.34 |
| LogP ≤ 5 | 23.48 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 14 |