1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

C72H88Br4N28O16S3 — CID 161283174

About 1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 161283174) has the molecular formula C72H88Br4N28O16S3 and a molecular weight of 2017.49 g/mol. Its IUPAC name is 1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: 1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
• PubChem CID: 161283174
• Molecular Formula: C72H88Br4N28O16S3
• Molecular Weight: 2017.49 g/mol
• Exact Mass: 2012.28
• IUPAC Name: 1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
• SMILES: CC(C)(C)OC(=O)CC1CCn2nc(Br)nc2C1.CCc1nnc(-c2cnn(C)c2C(=O)CO)s1.COC(=O)C1CCn2nc(Br)nc2C1.COC(=O)C1CCn2nc(N)nc2C1.COC(=O)c1ccn2nc(N)nc2c1.Cc1nc(-c2cnn(C)c2C(=O)CO)c(Br)s1.Cc1nsc(-c2cnn(C)c2C(=O)CO)n1.O=C(O)C1CCn2nc(Br)nc2C1
• InChI: InChI=1S/C12H18BrN3O2.C10H10BrN3O2S.C10H12N4O2S.C9H10N4O2S.C8H10BrN3O2.C8H12N4O2.C8H8N4O2.C7H8BrN3O2/c1-12(2,3)18-10(17)7-8-4-5-16-9(6-8)14-11(13)15-16;1-5-13-8(10(11)17-5)6-3-12-14(2)9(6)7(16)4-15;1-3-8-12-13-10(17-8)6-4-11-14(2)9(6)7(16)5-15;1-5-11-9(16-12-5)6-3-10-13(2)8(6)7(15)4-14;3*1-14-7(13)5-2-3-12-6(4-5)10-8(9)11-12;8-7-9-5-3-4(6(12)13)1-2-11(5)10-7/h8H,4-7H2,1-3H3;3,15H,4H2,1-2H3;4,15H,3,5H2,1-2H3;3,14H,4H2,1-2H3;5H,2-4H2,1H3;5H,2-4H2,1H3,(H2,9,11);2-4H,1H3,(H2,9,11);4H,1-3H2,(H,12,13)
• InChIKey: VFJBBPVOELSIQN-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 577.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 46
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2017.49
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?

The IUPAC name of 1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (CID 161283174) is 1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

What is the SMILES notation for 1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?

The canonical SMILES for 1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is CC(C)(C)OC(=O)CC1CCn2nc(Br)nc2C1.CCc1nnc(-c2cnn(C)c2C(=O)CO)s1.COC(=O)C1CCn2nc(Br)nc2C1.COC(=O)C1CCn2nc(N)nc2C1.COC(=O)c1ccn2nc(N)nc2c1.Cc1nc(-c2cnn(C)c2C(=O)CO)c(Br)s1.Cc1nsc(-c2cnn(C)c2C(=O)CO)n1.O=C(O)C1CCn2nc(Br)nc2C1.

What is the InChIKey of 1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?

The InChIKey is VFJBBPVOELSIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2.C10H10BrN3O2S.C10H12N4O2S.C9H10N4O2S.C8H10BrN3O2.C8H12N4O2.C8H8N4O2.C7H8BrN3O2/c1-12(2,3)18-10(17)7-8-4-5-16-9(6-8)14-11(13)15-16;1-5-13-8(10(11)17-5)6-3-12-14(2)9(6)7(16)4-15;1-3-8-12-13-10(17-8)6-4-11-14(2)9(6)7(16)5-15;1-5-11-9(16-12-5)6-3-10-13(2)8(6)7(15)4-14;3*1-14-7(13)5-2-3-12-6(4-5)10-8(9)11-12;8-7-9-5-3-4(6(12)13)1-2-11(5)10-7/h8H,4-7H2,1-3H3;3,15H,4H2,1-2H3;4,15H,3,5H2,1-2H3;3,14H,4H2,1-2H3;5H,2-4H2,1H3;5H,2-4H2,1H3,(H2,9,11);2-4H,1H3,(H2,9,11);4H,1-3H2,(H,12,13).

What are the key properties of 1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?

1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate has a molecular weight of 2017.49 g/mol, XLogP of 6.38, 16 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-bromo-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;1-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 161283174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).