C129H115Cl2F8N17O11 — CID 159974727
5-chloro-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;5-cyano-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethyl-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 159974727) has the molecular formula C129H115Cl2F8N17O11 and a molecular weight of 2302.34 g/mol. Its IUPAC name is 5-chloro-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;5-cyano-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethyl-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;5-cyano-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethyl-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 159974727 |
| Molecular Formula | C129H115Cl2F8N17O11 |
| Molecular Weight | 2302.34 g/mol |
| Exact Mass | 2299.82 |
| IUPAC Name | 5-chloro-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;5-cyano-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethyl-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide |
| SMILES | CCc1ccc2[nH]c(C(=O)NC(C)c3cnn(C)c3)cc2c1.CCc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CC3)cc2c1.C[C@@H](NC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)c1ccccc1.N#Cc1ccc2[nH]c(C(=O)NC3(c4ccc(F)cc4)COC3)cc2c1.O=C(NC1(c2ccc(F)cc2)COC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2ccccc2)CC1)C1Cc2cc(Cl)ccc2N1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(OC(F)(F)F)ccc2[nH]1 |
| InChI | InChI=1S/C20H20N2O.C19H15F3N2O2.C19H14FN3O2.C18H14ClFN2O2.C18H17ClN2O.C18H15F3N2O2.C17H20N4O/c1-2-14-8-9-17-15(12-14)13-18(21-17)19(23)22-20(10-11-20)16-6-4-3-5-7-16;20-19(21,22)26-14-6-7-15-12(10-14)11-16(23-15)17(25)24-18(8-9-18)13-4-2-1-3-5-13;20-15-4-2-14(3-5-15)19(10-25-11-19)23-18(24)17-8-13-7-12(9-21)1-6-16(13)22-17;19-13-3-6-15-11(7-13)8-16(21-15)17(23)22-18(9-24-10-18)12-1-4-14(20)5-2-12;19-14-6-7-15-12(10-14)11-16(20-15)17(22)21-18(8-9-18)13-4-2-1-3-5-13;1-11(12-5-3-2-4-6-12)22-17(24)16-10-13-9-14(25-18(19,20)21)7-8-15(13)23-16;1-4-12-5-6-15-13(7-12)8-16(20-15)17(22)19-11(2)14-9-18-21(3)10-14/h3-9,12-13,21H,2,10-11H2,1H3,(H,22,23);1-7,10-11,23H,8-9H2,(H,24,25);1-8,22H,10-11H2,(H,23,24);1-8,21H,9-10H2,(H,22,23);1-7,10,16,20H,8-9,11H2,(H,21,22);2-11,23H,1H3,(H,22,24);5-11,20H,4H2,1-3H3,(H,19,22)/t;;;;;11-;/m.....1./s1 |
| InChIKey | OEZRSSYQCOGNJI-KZYOFYSLSA-N |
| XLogP | 26.08 |
| TPSA | 389.00 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2302.34 |
| LogP ≤ 5 | 26.08 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 15 |