C122H105Cl5F2N22O8 — CID 159401754
5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-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 159401754) has the molecular formula C122H105Cl5F2N22O8 and a molecular weight of 2222.59 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-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-(4-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-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 | 159401754 |
| Molecular Formula | C122H105Cl5F2N22O8 |
| Molecular Weight | 2222.59 g/mol |
| Exact Mass | 2218.69 |
| IUPAC Name | 5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-(1-methylcyclopropyl)-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-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.CC1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cn1.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(c2ccc(F)cc2)CC1)c1cc2cc(Cl)ccc2[nH]1.O=C(NC1(c2nc(-c3ccccc3)no2)CC1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C20H15ClN4O2.C19H14FN3O.C19H15N3O.C18H14ClFN2O.C17H19ClN4O.C16H15ClN4O.C13H13ClN2O/c21-14-6-7-15-13(10-14)11-16(22-15)18(26)24-20(8-9-20)19-23-17(25-27-19)12-4-2-1-3-5-12;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;19-13-3-6-15-11(9-13)10-16(21-15)17(23)22-18(7-8-18)12-1-4-14(20)5-2-12;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;1-21-9-11(8-18-21)16(4-5-16)20-15(22)14-7-10-6-12(17)2-3-13(10)19-14;1-13(4-5-13)16-12(17)11-7-8-6-9(14)2-3-10(8)15-11/h1-7,10-11,22H,8-9H2,(H,24,26);1-6,9-10,22H,7-8H2,(H,23,24);1-7,10-11,21H,8-9H2,(H,22,23);1-6,9-10,21H,7-8H2,(H,22,23);4-11,21H,1-3H3,(H,20,23);2-3,6-9,19H,4-5H2,1H3,(H,20,22);2-3,6-7,15H,4-5H2,1H3,(H,16,17) |
| InChIKey | LNKTVUQRUJHWOK-UHFFFAOYSA-N |
| XLogP | 25.89 |
| TPSA | 436.37 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2222.59 |
| LogP ≤ 5 | 25.89 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 16 |