C108H95Cl4FN20O7 — CID 159766422
5-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(4-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide (PubChem CID 159766422) has the molecular formula C108H95Cl4FN20O7 and a molecular weight of 1945.89 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(4-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(4-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 159766422 |
| Molecular Formula | C108H95Cl4FN20O7 |
| Molecular Weight | 1945.89 g/mol |
| Exact Mass | 1942.64 |
| IUPAC Name | 5-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclobutyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(4-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide |
| SMILES | CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C(C)C)c1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cnn(C)c1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1noc(-c2ccccc2)n1.N#Cc1ccc2[nH]c(C(=O)NC3(c4ccc(F)cc4)CC3)cc2c1.N#Cc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CC3)cc2c1.O=C(NC1(c2ccccc2)CCC1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C19H15ClN4O2.C19H17ClN2O.C19H14FN3O.C19H15N3O.C17H19ClN4O.C15H15ClN4O/c1-11(17-23-19(26-24-17)12-5-3-2-4-6-12)21-18(25)16-10-13-9-14(20)7-8-15(13)22-16;20-15-7-8-16-13(11-15)12-17(21-16)18(23)22-19(9-4-10-19)14-5-2-1-3-6-14;20-15-4-2-14(3-5-15)19(7-8-19)23-18(24)17-10-13-9-12(11-21)1-6-16(13)22-17;20-12-13-6-7-16-14(10-13)11-17(21-16)18(23)22-19(8-9-19)15-4-2-1-3-5-15;1-10(2)22-9-13(8-19-22)11(3)20-17(23)16-7-12-6-14(18)4-5-15(12)21-16;1-9(11-7-17-20(2)8-11)18-15(21)14-6-10-5-12(16)3-4-13(10)19-14/h2-11,22H,1H3,(H,21,25);1-3,5-8,11-12,21H,4,9-10H2,(H,22,23);1-6,9-10,22H,7-8H2,(H,23,24);1-7,10-11,21H,8-9H2,(H,22,23);4-11,21H,1-3H3,(H,20,23);3-9,19H,1-2H3,(H,18,21) |
| InChIKey | NFODMDISONAWKL-UHFFFAOYSA-N |
| XLogP | 23.18 |
| TPSA | 391.48 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 140 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1945.89 |
| LogP ≤ 5 | 23.18 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 15 |