C103H90Cl10F3N21O5 — CID 160786662
4-amino-N-[7-(2-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1H-indazol-5-yl)butanamide;4-amino-2-(3,4-dichlorophenyl)-N-(7-methyl-1H-indazol-5-yl)butanamide;4-amino-2-(3,4-dichlorophenyl)-N-(7-phenyl-1H-indazol-5-yl)butanamide;3-amino-2-(3,4-dichlorophenyl)-N-(7-phenyl-1H-indazol-5-yl)propanamide (PubChem CID 160786662) has the molecular formula C103H90Cl10F3N21O5 and a molecular weight of 2113.52 g/mol. Its IUPAC name is 4-amino-N-[7-(2-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1H-indazol-5-yl)butanamide;4-amino-2-(3,4-dichlorophenyl)-N-(7-methyl-1H-indazol-5-yl)butanamide;4-amino-2-(3,4-dichlorophenyl)-N-(7-phenyl-1H-indazol-5-yl)butanamide;3-amino-2-(3,4-dichlorophenyl)-N-(7-phenyl-1H-indazol-5-yl)propanamide.
| Compound Name | 4-amino-N-[7-(2-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1H-indazol-5-yl)butanamide;4-amino-2-(3,4-dichlorophenyl)-N-(7-methyl-1H-indazol-5-yl)butanamide;4-amino-2-(3,4-dichlorophenyl)-N-(7-phenyl-1H-indazol-5-yl)butanamide;3-amino-2-(3,4-dichlorophenyl)-N-(7-phenyl-1H-indazol-5-yl)propanamide |
|---|---|
| PubChem CID | 160786662 |
| Molecular Formula | C103H90Cl10F3N21O5 |
| Molecular Weight | 2113.52 g/mol |
| Exact Mass | 2107.43 |
| IUPAC Name | 4-amino-N-[7-(2-chlorophenyl)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide;4-amino-2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1H-indazol-5-yl)butanamide;4-amino-2-(3,4-dichlorophenyl)-N-(7-methyl-1H-indazol-5-yl)butanamide;4-amino-2-(3,4-dichlorophenyl)-N-(7-phenyl-1H-indazol-5-yl)butanamide;3-amino-2-(3,4-dichlorophenyl)-N-(7-phenyl-1H-indazol-5-yl)propanamide |
| SMILES | Cc1cc(NC(=O)C(CCN)c2ccc(Cl)c(Cl)c2)cc2cn[nH]c12.NCC(C(=O)Nc1cc(-c2ccccc2)c2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)Nc1cc(-c2ccccc2)c2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)Nc1cc(-c2ccccc2Cl)c2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1.NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1cc(C(F)(F)F)cc(Cl)n1 |
| InChI | InChI=1S/C23H19Cl3N4O.C23H20Cl2N4O.C22H18Cl2N4O.C18H18Cl2N4O.C17H15ClF3N5O/c24-19-4-2-1-3-17(19)18-11-15(9-14-12-28-30-22(14)18)29-23(31)16(7-8-27)13-5-6-20(25)21(26)10-13;24-20-7-6-15(11-21(20)25)18(8-9-26)23(30)28-17-10-16-13-27-29-22(16)19(12-17)14-4-2-1-3-5-14;23-19-7-6-14(9-20(19)24)18(11-25)22(29)27-16-8-15-12-26-28-21(15)17(10-16)13-4-2-1-3-5-13;1-10-6-13(7-12-9-22-24-17(10)12)23-18(25)14(4-5-21)11-2-3-15(19)16(20)8-11;18-15-7-10(17(19,20)21)6-14(25-15)12(3-4-22)16(27)24-11-1-2-13-9(5-11)8-23-26-13/h1-6,9-12,16H,7-8,27H2,(H,28,30)(H,29,31);1-7,10-13,18H,8-9,26H2,(H,27,29)(H,28,30);1-10,12,18H,11,25H2,(H,26,28)(H,27,29);2-3,6-9,14H,4-5,21H2,1H3,(H,22,24)(H,23,25);1-2,5-8,12H,3-4,22H2,(H,23,26)(H,24,27) |
| InChIKey | SBHKBVZJBPRANS-UHFFFAOYSA-N |
| XLogP | 25.04 |
| TPSA | 431.89 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 142 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2113.52 |
| LogP ≤ 5 | 25.04 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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