C152H140Cl3F3N24O15 — CID 159433372
5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-methoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide (PubChem CID 159433372) has the molecular formula C152H140Cl3F3N24O15 and a molecular weight of 2706.30 g/mol. Its IUPAC name is 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-methoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-methoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 159433372 |
| Molecular Formula | C152H140Cl3F3N24O15 |
| Molecular Weight | 2706.30 g/mol |
| Exact Mass | 2702.99 |
| IUPAC Name | 5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-methoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide |
| SMILES | COc1ccc2[nH]c(C(=O)NC(C)c3cnn(C)c3)cc2c1.COc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CC3)cc2c1.C[C@@H](NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(O)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2ccc(C(F)F)cc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2ccc(O)cc2[nH]1)c1ccccc1.Cc1nnc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)o1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(O)ccc2[nH]1.O=C(NC1(c2ncccn2)CC1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C19H18N2O2.C18H16F2N2O.C18H16N2O2.C17H14ClFN2O.2C17H16N2O2.C16H13ClN4O.C16H18N4O2.C14H13ClN4O2/c1-23-15-7-8-16-13(11-15)12-17(20-16)18(22)21-19(9-10-19)14-5-3-2-4-6-14;1-11(12-5-3-2-4-6-12)21-18(23)16-9-13-7-8-14(17(19)20)10-15(13)22-16;21-14-6-7-15-12(10-14)11-16(19-15)17(22)20-18(8-9-18)13-4-2-1-3-5-13;1-10(11-5-3-2-4-6-11)20-17(22)15-9-12-14(21-15)8-7-13(18)16(12)19;1-11(12-5-3-2-4-6-12)18-17(21)16-10-13-9-14(20)7-8-15(13)19-16;1-11(12-5-3-2-4-6-12)18-17(21)16-9-13-7-8-14(20)10-15(13)19-16;17-11-2-3-12-10(8-11)9-13(20-12)14(22)21-16(4-5-16)15-18-6-1-7-19-15;1-10(12-8-17-20(2)9-12)18-16(21)15-7-11-6-13(22-3)4-5-14(11)19-15;1-7(14-19-18-8(2)21-14)16-13(20)12-6-9-5-10(15)3-4-11(9)17-12/h2-8,11-12,20H,9-10H2,1H3,(H,21,22);2-11,17,22H,1H3,(H,21,23);1-7,10-11,19,21H,8-9H2,(H,20,22);2-10,21H,1H3,(H,20,22);2*2-11,19-20H,1H3,(H,18,21);1-3,6-9,20H,4-5H2,(H,21,22);4-10,19H,1-3H3,(H,18,21);3-7,17H,1-2H3,(H,16,20)/t;11-;;10-;2*11-;;;/m.1.111.../s1 |
| InChIKey | LRGMHHXKHDOLQF-AWUAXAJRSA-N |
| XLogP | 31.10 |
| TPSA | 565.68 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 197 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2706.30 |
| LogP ≤ 5 | 31.10 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 21 |