C123H109BrCl3N25O11 — CID 162022773
N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide (PubChem CID 162022773) has the molecular formula C123H109BrCl3N25O11 and a molecular weight of 2299.65 g/mol. Its IUPAC name is N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide.
| Compound Name | N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 162022773 |
| Molecular Formula | C123H109BrCl3N25O11 |
| Molecular Weight | 2299.65 g/mol |
| Exact Mass | 2295.70 |
| IUPAC Name | N-benzhydryl-5-chloro-1H-indole-2-carboxamide;1-(5-bromo-1H-indol-2-yl)-2-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]ethanone;5-chloro-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;5-cyano-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indole-2-carboxamide;5-cyano-N-[3-(1-methylpyrazol-4-yl)oxetan-3-yl]-1H-indole-2-carboxamide;5-cyano-N-(1-phenylcyclopentyl)-1H-indole-2-carboxamide |
| SMILES | Cc1cc(C(C)NC(=O)c2cc3cc(C#N)ccc3[nH]2)no1.Cc1cc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)no1.Cc1nc(C2(NC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)n[nH]1.Cn1cc(C2(CC(=O)c3cc4cc(Br)ccc4[nH]3)COC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4[nH]3)COC2)cn1.N#Cc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CCCC3)cc2c1.O=C(NC(c1ccccc1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1 |
| InChI | InChI=1S/C22H17ClN2O.C21H19N3O.C17H16BrN3O2.C17H15N5O2.C16H14N4O2.C15H14ClN5O.C15H14ClN3O2/c23-18-11-12-19-17(13-18)14-20(24-19)22(26)25-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;22-14-15-8-9-18-16(12-15)13-19(23-18)20(25)24-21(10-4-5-11-21)17-6-2-1-3-7-17;1-21-8-12(7-19-21)17(9-23-10-17)6-16(22)15-5-11-4-13(18)2-3-14(11)20-15;1-22-8-13(7-19-22)17(9-24-10-17)21-16(23)15-5-12-4-11(6-18)2-3-14(12)20-15;1-9-5-14(20-22-9)10(2)18-16(21)15-7-12-6-11(8-17)3-4-13(12)19-15;1-8-17-14(21-20-8)15(4-5-15)19-13(22)12-7-9-6-10(16)2-3-11(9)18-12;1-8-5-13(19-21-8)9(2)17-15(20)14-7-10-6-11(16)3-4-12(10)18-14/h1-14,21,24H,(H,25,26);1-3,6-9,12-13,23H,4-5,10-11H2,(H,24,25);2-5,7-8,20H,6,9-10H2,1H3;2-5,7-8,20H,9-10H2,1H3,(H,21,23);3-7,10,19H,1-2H3,(H,18,21);2-3,6-7,18H,4-5H2,1H3,(H,19,22)(H,17,20,21);3-7,9,18H,1-2H3,(H,17,20) |
| InChIKey | YUYRVBLHVPUCER-UHFFFAOYSA-N |
| XLogP | 23.32 |
| TPSA | 521.30 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 163 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2299.65 |
| LogP ≤ 5 | 23.32 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 22 |