4-(4-bromophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
C136H83Br2Cl4F4N21O23S7 — CID 160536276
Data last refreshed: (MolForge compound catalog, from PubChem)
About 4-(4-bromophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
4-(4-bromophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 160536276) has the molecular formula C136H83Br2Cl4F4N21O23S7 and a molecular weight of 2981.36 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid.
Molecular Properties
| Compound Name | 4-(4-bromophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid |
|---|---|
| PubChem CID | 160536276 |
| Molecular Formula | C136H83Br2Cl4F4N21O23S7 |
| Molecular Weight | 2981.36 g/mol |
| Exact Mass | 2975.11 |
| IUPAC Name | 4-(4-bromophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(7-hydroxy-1-benzofuran-2-yl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid |
| SMILES | Cc1ccc(-c2csc(NC(=O)c3cc4ccccn4n3)c2C(=O)O)c(F)c1F.O=C(Nc1scc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(Cl)cccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccn2n1 |
| InChI | InChI=1S/C21H13N3O5S.C20H13F2N3O3S.C19H11BrFN3O3S.C19H12BrN3O3S.C19H11Cl2N3O3S.C19H11ClFN3O3S.C19H12ClN3O3S/c25-15-6-3-4-11-8-16(29-18(11)15)13-10-30-20(17(13)21(27)28)22-19(26)14-9-12-5-1-2-7-24(12)23-14;1-10-5-6-12(17(22)16(10)21)13-9-29-19(15(13)20(27)28)23-18(26)14-8-11-4-2-3-7-25(11)24-14;20-11-5-3-10(4-6-11)12-9-28-18(16(12)19(26)27)22-17(25)14-8-15-13(21)2-1-7-24(15)23-14;20-12-6-4-11(5-7-12)14-10-27-18(16(14)19(25)26)21-17(24)15-9-13-3-1-2-8-23(13)22-15;2*20-11-5-3-10(4-6-11)12-9-28-18(16(12)19(26)27)22-17(25)14-8-15-13(21)2-1-7-24(15)23-14;20-12-6-4-11(5-7-12)14-10-27-18(16(14)19(25)26)21-17(24)15-9-13-3-1-2-8-23(13)22-15/h1-10,25H,(H,22,26)(H,27,28);2-9H,1H3,(H,23,26)(H,27,28);1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26);2*1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26) |
| InChIKey | QWEXRUZQMGNTDI-UHFFFAOYSA-N |
| XLogP | 33.55 |
| TPSA | 619.27 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 197 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2981.36 |
| LogP ≤ 5 | 33.55 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 37 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 160536276 — identifiers, structure, computed properties (public domain)
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