2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride

C62H59Br4ClF2N22O9S3 — CID 158170633

About 2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride

2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride (PubChem CID 158170633) has the molecular formula C62H59Br4ClF2N22O9S3 and a molecular weight of 1745.56 g/mol. Its IUPAC name is 2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride.

Molecular Properties

• Compound Name: 2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride
• PubChem CID: 158170633
• Molecular Formula: C62H59Br4ClF2N22O9S3
• Molecular Weight: 1745.56 g/mol
• Exact Mass: 1740.04
• IUPAC Name: 2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride
• SMILES: CC(C)(C)OC(=O)Cc1ccn2nc(Br)nc2c1.CCc1csc(-c2cnn(C)c2C(=O)CO)n1.CCc1csc(-c2cnn(C)c2C(=O)O)n1.Cl.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Cc1ccn2nc(Br)nc2c1.Nc1ccn2nc(Br)nc2c1.O=C(O)c1ccn2nc(Br)nc2c1
• InChI: InChI=1S/C16H11BrF2N6OS.C12H14BrN3O2.C11H13N3O2S.C10H11N3O2S.C7H4BrN3O2.C6H5BrN4.ClH/c1-24-13(9(6-20-24)15-21-10(7-27-15)14(18)19)11(26)4-8-2-3-25-12(5-8)22-16(17)23-25;1-12(2,3)18-10(17)7-8-4-5-16-9(6-8)14-11(13)15-16;1-3-7-6-17-11(13-7)8-4-12-14(2)10(8)9(16)5-15;1-3-6-5-16-9(12-6)7-4-11-13(2)8(7)10(14)15;8-7-9-5-3-4(6(12)13)1-2-11(5)10-7;7-6-9-5-3-4(8)1-2-11(5)10-6;/h2-3,5-7,14H,4H2,1H3;4-6H,7H2,1-3H3;4,6,15H,3,5H2,1-2H3;4-5H,3H2,1-2H3,(H,14,15);1-3H,(H,12,13);1-3H,8H2;1H
• InChIKey: AXHHSSZBQLRBNH-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 394.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1745.56
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride?

The IUPAC name of 2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride (CID 158170633) is 2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride.

What is the SMILES notation for 2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride?

The canonical SMILES for 2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride is CC(C)(C)OC(=O)Cc1ccn2nc(Br)nc2c1.CCc1csc(-c2cnn(C)c2C(=O)CO)n1.CCc1csc(-c2cnn(C)c2C(=O)O)n1.Cl.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Cc1ccn2nc(Br)nc2c1.Nc1ccn2nc(Br)nc2c1.O=C(O)c1ccn2nc(Br)nc2c1.

What is the InChIKey of 2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride?

The InChIKey is AXHHSSZBQLRBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N6OS.C12H14BrN3O2.C11H13N3O2S.C10H11N3O2S.C7H4BrN3O2.C6H5BrN4.ClH/c1-24-13(9(6-20-24)15-21-10(7-27-15)14(18)19)11(26)4-8-2-3-25-12(5-8)22-16(17)23-25;1-12(2,3)18-10(17)7-8-4-5-16-9(6-8)14-11(13)15-16;1-3-7-6-17-11(13-7)8-4-12-14(2)10(8)9(16)5-15;1-3-6-5-16-9(12-6)7-4-11-13(2)8(7)10(14)15;8-7-9-5-3-4(6(12)13)1-2-11(5)10-7;7-6-9-5-3-4(8)1-2-11(5)10-6;/h2-3,5-7,14H,4H2,1H3;4-6H,7H2,1-3H3;4,6,15H,3,5H2,1-2H3;4-5H,3H2,1-2H3,(H,14,15);1-3H,(H,12,13);1-3H,8H2;1H.

What are the key properties of 2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride?

2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride has a molecular weight of 1745.56 g/mol, XLogP of 11.86, 15 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;hydrochloride is sourced from PubChem (CID 158170633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).