2-[(3-aminopyrazolo[1,5-a]pyridine-2-carbonyl)amino]-4-(2,3-difluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
C144H99ClF13N21O21S8 — CID 159037289
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-[(3-aminopyrazolo[1,5-a]pyridine-2-carbonyl)amino]-4-(2,3-difluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
2-[(3-aminopyrazolo[1,5-a]pyridine-2-carbonyl)amino]-4-(2,3-difluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 159037289) has the molecular formula C144H99ClF13N21O21S8 and a molecular weight of 2998.46 g/mol. Its IUPAC name is 2-[(3-aminopyrazolo[1,5-a]pyridine-2-carbonyl)amino]-4-(2,3-difluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.
Molecular Properties
| Compound Name | 2-[(3-aminopyrazolo[1,5-a]pyridine-2-carbonyl)amino]-4-(2,3-difluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid |
|---|---|
| PubChem CID | 159037289 |
| Molecular Formula | C144H99ClF13N21O21S8 |
| Molecular Weight | 2998.46 g/mol |
| Exact Mass | 2995.46 |
| IUPAC Name | 2-[(3-aminopyrazolo[1,5-a]pyridine-2-carbonyl)amino]-4-(2,3-difluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid |
| SMILES | Cc1cc(F)c2cc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)nn2c1.Cc1cc(F)c2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)nn2c1.Cc1ccc(-c2csc(NC(=O)c3cc4c(F)cccn4n3)c2C(=O)O)c(F)c1.Cc1ccc(-c2csc(NC(=O)c3cc4cccc(C)n4n3)c2C(=O)O)c(F)c1.Cc1ccc(-c2csc(NC(=O)c3cc4cccc(C)n4n3)c2C(=O)O)c(F)c1F.Cc1ccc(-c2csc(NC(=O)c3nn4ccccc4c3N)c2C(=O)O)c(F)c1F.Cc1ccc2nc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)sc2c1 |
| InChI | InChI=1S/C21H14F3N3O3S.C21H15F2N3O3S.C21H14F2N2O3S2.C21H16FN3O3S.C20H13ClFN3O3S.C20H14F2N4O3S.C20H13F2N3O3S/c1-9-5-13(22)15-6-14(26-27(15)7-9)19(28)25-20-16(21(29)30)12(8-31-20)11-4-3-10(2)17(23)18(11)24;1-10-6-7-13(18(23)17(10)22)14-9-30-20(16(14)21(28)29)24-19(27)15-8-12-5-3-4-11(2)26(12)25-15;1-9-3-6-13-14(7-9)30-20(24-13)18(26)25-19-15(21(27)28)12(8-29-19)11-5-4-10(2)16(22)17(11)23;1-11-6-7-14(16(22)8-11)15-10-29-20(18(15)21(27)28)23-19(26)17-9-13-5-3-4-12(2)25(13)24-17;1-10-6-14(22)16-7-15(24-25(16)8-10)18(26)23-19-17(20(27)28)13(9-29-19)11-2-4-12(21)5-3-11;1-9-5-6-10(15(22)14(9)21)11-8-30-19(13(11)20(28)29)24-18(27)17-16(23)12-4-2-3-7-26(12)25-17;1-10-4-5-11(14(22)7-10)12-9-29-19(17(12)20(27)28)23-18(26)15-8-16-13(21)3-2-6-25(16)24-15/h3-8H,1-2H3,(H,25,28)(H,29,30);3-9H,1-2H3,(H,24,27)(H,28,29);3-8H,1-2H3,(H,25,26)(H,27,28);3-10H,1-2H3,(H,23,26)(H,27,28);2-9H,1H3,(H,23,26)(H,27,28);2-8H,23H2,1H3,(H,24,27)(H,28,29);2-9H,1H3,(H,23,26)(H,27,28) |
| InChIKey | JVPNLPSOABQOJZ-UHFFFAOYSA-N |
| XLogP | 34.49 |
| TPSA | 607.51 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 208 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2998.46 |
| LogP ≤ 5 | 34.49 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 36 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 159037289 — identifiers, structure, computed properties (public domain)
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