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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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

C82H80Br3F13N30O12S — CID 162063397

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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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 162063397) has the molecular formula C82H80Br3F13N30O12S and a molecular weight of 2196.49 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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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: 162063397
• Molecular Formula: C82H80Br3F13N30O12S
• Molecular Weight: 2196.49 g/mol
• Exact Mass: 2192.36
• 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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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.Nc1cc2nc(N3CCC[C@@H]3C(F)(F)F)nn2cc1F.Nc1ccn2nc(N3CC[C@@H](F)C3)nc2c1.O=C(O)c1cc2nc(Br)nn2cc1F
• InChI: InChI=1S/C17H20F4N4O2.C12H13BrFN3O2.C11H11F4N5.C10H12FN5.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;12-6-5-20-9(4-7(6)16)17-10(18-20)19-3-1-2-8(19)11(13,14)15;11-7-1-3-15(6-7)10-13-9-5-8(12)2-4-16(9)14-10;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;4-5,8H,1-3,16H2;2,4-5,7H,1,3,6,12H2;3-4H,1-2H3,(H,13,14);2-3H,1H3;2-3H,1H3,(H2,10,12);1-2H,(H,13,14)/t12-;;8-;7-;;;;/m1.11..../s1
• InChIKey: ZADFXSQVYCWLOG-YAIYDWACSA-N
• XLogP: 13.17
• TPSA: 509.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 12
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2196.49
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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 162063397) 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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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.Nc1cc2nc(N3CCC[C@@H]3C(F)(F)F)nn2cc1F.Nc1ccn2nc(N3CC[C@@H](F)C3)nc2c1.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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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 ZADFXSQVYCWLOG-YAIYDWACSA-N. The full InChI is InChI=1S/C17H20F4N4O2.C12H13BrFN3O2.C11H11F4N5.C10H12FN5.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;12-6-5-20-9(4-7(6)16)17-10(18-20)19-3-1-2-8(19)11(13,14)15;11-7-1-3-15(6-7)10-13-9-5-8(12)2-4-16(9)14-10;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;4-5,8H,1-3,16H2;2,4-5,7H,1,3,6,12H2;3-4H,1-2H3,(H,13,14);2-3H,1H3;2-3H,1H3,(H2,10,12);1-2H,(H,13,14)/t12-;;8-;7-;;;;/m1.11..../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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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 2196.49 g/mol, XLogP of 13.17, 12 rotatable bonds, 5 hydrogen bond donors, and 41 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;2-[(3R)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;6-fluoro-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-amine;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 162063397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).