2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid

C71H66Br3F10N23O14S2 — CID 157447273

About 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid

2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid (PubChem CID 157447273) has the molecular formula C71H66Br3F10N23O14S2 and a molecular weight of 1959.28 g/mol. Its IUPAC name is 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid
• PubChem CID: 157447273
• Molecular Formula: C71H66Br3F10N23O14S2
• Molecular Weight: 1959.28 g/mol
• Exact Mass: 1955.20
• IUPAC Name: 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid
• SMILES: CC(C)(C)OC(=O)Cc1cc2nc(Br)nn2cc1F.CC(C)(C)OC(=O)Cc1cc2nc(N3CCC[C@@H]3C(F)(F)F)nn2cc1F.COC(=O)c1cc2nc(Br)nn2cc1F.COC(=O)c1cc2nc(N)nn2cc1F.Cc1csc(-c2cnn(C)c2C(=O)O)n1.Cc1sc(-c2cnn(C)c2C(=O)O)nc1C(F)F.O=C(O)c1cc2nc(Br)nn2cc1F
• InChI: InChI=1S/C17H20F4N4O2.C12H13BrFN3O2.C10H9F2N3O2S.C9H9N3O2S.C8H5BrFN3O2.C8H7FN4O2.C7H3BrFN3O2/c1-16(2,3)27-14(26)8-10-7-13-22-15(23-25(13)9-11(10)18)24-6-4-5-12(24)17(19,20)21;1-12(2,3)19-10(18)5-7-4-9-15-11(13)16-17(9)6-8(7)14;1-4-6(8(11)12)14-9(18-4)5-3-13-15(2)7(5)10(16)17;1-5-4-15-8(11-5)6-3-10-12(2)7(6)9(13)14;1-15-7(14)4-2-6-11-8(9)12-13(6)3-5(4)10;1-15-7(14)4-2-6-11-8(10)12-13(6)3-5(4)9;8-7-10-5-1-3(6(13)14)4(9)2-12(5)11-7/h7,9,12H,4-6,8H2,1-3H3;4,6H,5H2,1-3H3;3,8H,1-2H3,(H,16,17);3-4H,1-2H3,(H,13,14);2-3H,1H3;2-3H,1H3,(H2,10,12);1-2H,(H,13,14)/t12-;;;;;;/m1....../s1
• InChIKey: BSJHDAMEJACHFZ-ANFOYOKBSA-N
• XLogP: 12.82
• TPSA: 458.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1959.28
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid?

The IUPAC name of 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid (CID 157447273) is 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid.

What is the SMILES notation for 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid?

The canonical SMILES for 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid is CC(C)(C)OC(=O)Cc1cc2nc(Br)nn2cc1F.CC(C)(C)OC(=O)Cc1cc2nc(N3CCC[C@@H]3C(F)(F)F)nn2cc1F.COC(=O)c1cc2nc(Br)nn2cc1F.COC(=O)c1cc2nc(N)nn2cc1F.Cc1csc(-c2cnn(C)c2C(=O)O)n1.Cc1sc(-c2cnn(C)c2C(=O)O)nc1C(F)F.O=C(O)c1cc2nc(Br)nn2cc1F.

What is the InChIKey of 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid?

The InChIKey is BSJHDAMEJACHFZ-ANFOYOKBSA-N. The full InChI is InChI=1S/C17H20F4N4O2.C12H13BrFN3O2.C10H9F2N3O2S.C9H9N3O2S.C8H5BrFN3O2.C8H7FN4O2.C7H3BrFN3O2/c1-16(2,3)27-14(26)8-10-7-13-22-15(23-25(13)9-11(10)18)24-6-4-5-12(24)17(19,20)21;1-12(2,3)19-10(18)5-7-4-9-15-11(13)16-17(9)6-8(7)14;1-4-6(8(11)12)14-9(18-4)5-3-13-15(2)7(5)10(16)17;1-5-4-15-8(11-5)6-3-10-12(2)7(6)9(13)14;1-15-7(14)4-2-6-11-8(9)12-13(6)3-5(4)10;1-15-7(14)4-2-6-11-8(10)12-13(6)3-5(4)9;8-7-10-5-1-3(6(13)14)4(9)2-12(5)11-7/h7,9,12H,4-6,8H2,1-3H3;4,6H,5H2,1-3H3;3,8H,1-2H3,(H,16,17);3-4H,1-2H3,(H,13,14);2-3H,1H3;2-3H,1H3,(H2,10,12);1-2H,(H,13,14)/t12-;;;;;;/m1....../s1.

What are the key properties of 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid?

2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid has a molecular weight of 1959.28 g/mol, XLogP of 12.82, 13 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;tert-butyl 2-[6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetate;4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-6-fluoro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 157447273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).