C118H108Cl5F4N25O10S — CID 158980196
5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide (PubChem CID 158980196) has the molecular formula C118H108Cl5F4N25O10S and a molecular weight of 2321.65 g/mol. Its IUPAC name is 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 158980196 |
| Molecular Formula | C118H108Cl5F4N25O10S |
| Molecular Weight | 2321.65 g/mol |
| Exact Mass | 2317.68 |
| IUPAC Name | 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-6-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-chloro-4-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;6-hydroxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;6-(methanesulfonamido)-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide |
| SMILES | CS(=O)(=O)Nc1ccc2cc(C(=O)NC3(c4ccccc4)CC3)[nH]c2c1.Cc1c(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cnn1C.Cn1cc(C2(NC(=O)c3cc4c(F)c(Cl)ccc4[nH]3)CC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)c(F)cc4[nH]3)CC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)cc(F)c4[nH]3)CC2)cn1.Cn1cc(C2(NC(=O)c3cc4ccc(O)cc4[nH]3)CC2)cn1.O=C(NC1(c2ccccc2)CC1)c1cc2c(F)c(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C19H19N3O3S.C18H14ClFN2O.C17H17ClN4O.3C16H14ClFN4O.C16H16N4O2/c1-26(24,25)22-15-8-7-13-11-17(20-16(13)12-15)18(23)21-19(9-10-19)14-5-3-2-4-6-14;19-13-6-7-14-12(16(13)20)10-15(21-14)17(23)22-18(8-9-18)11-4-2-1-3-5-11;1-10-13(9-19-22(10)2)17(5-6-17)21-16(23)15-8-11-7-12(18)3-4-14(11)20-15;1-22-8-10(7-19-22)16(2-3-16)21-15(23)14-5-9-4-11(17)12(18)6-13(9)20-14;1-22-8-10(7-19-22)16(2-3-16)21-15(23)13-5-9-4-11(17)6-12(18)14(9)20-13;1-22-8-9(7-19-22)16(4-5-16)21-15(23)13-6-10-12(20-13)3-2-11(17)14(10)18;1-20-9-11(8-17-20)16(4-5-16)19-15(22)14-6-10-2-3-12(21)7-13(10)18-14/h2-8,11-12,20,22H,9-10H2,1H3,(H,21,23);1-7,10,21H,8-9H2,(H,22,23);3-4,7-9,20H,5-6H2,1-2H3,(H,21,23);2*4-8,20H,2-3H2,1H3,(H,21,23);2-3,6-8,20H,4-5H2,1H3,(H,21,23);2-3,6-9,18,21H,4-5H2,1H3,(H,19,22) |
| InChIKey | JOWZDOMVZNRBJO-UHFFFAOYSA-N |
| XLogP | 21.99 |
| TPSA | 469.73 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 163 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2321.65 |
| LogP ≤ 5 | 21.99 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 20 |