1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride

C66H73Br3Cl2F3N23O7S4 — CID 160911451

About 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride

1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride (PubChem CID 160911451) has the molecular formula C66H73Br3Cl2F3N23O7S4 and a molecular weight of 1796.34 g/mol. Its IUPAC name is 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride.

Molecular Properties

• Compound Name: 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride
• PubChem CID: 160911451
• Molecular Formula: C66H73Br3Cl2F3N23O7S4
• Molecular Weight: 1796.34 g/mol
• Exact Mass: 1791.18
• IUPAC Name: 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride
• SMILES: Cc1nc(-c2cnn(C)c2C(=O)CO)sc1Br.Cc1nc(-c2cnn(C)c2C(=O)O)c(C)s1.Cc1nc(-c2cnn(C)c2C(=O)O)sc1C1CC1.Cl.Cl.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2nc(Br)nc2C1.NC1CCn2nc(-c3cccc(F)c3)nc2C1.NC1CCn2nc(Br)nc2C1
• InChI: InChI=1S/C16H15BrF2N6OS.C12H13FN4.C12H13N3O2S.C10H10BrN3O2S.C10H11N3O2S.C6H9BrN4.2ClH/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;13-9-3-1-2-8(6-9)12-15-11-7-10(14)4-5-17(11)16-12;1-6-10(7-3-4-7)18-11(14-6)8-5-13-15(2)9(8)12(16)17;1-5-9(11)17-10(13-5)6-3-12-14(2)8(6)7(16)4-15;1-5-8(12-6(2)16-5)7-4-11-13(3)9(7)10(14)15;7-6-9-5-3-4(8)1-2-11(5)10-6;;/h6-8,14H,2-5H2,1H3;1-3,6,10H,4-5,7,14H2;5,7H,3-4H2,1-2H3,(H,16,17);3,15H,4H2,1-2H3;4H,1-3H3,(H,14,15);4H,1-3,8H2;2*1H
• InChIKey: STRONIHCOPAFHP-UHFFFAOYSA-N
• XLogP: 12.26
• TPSA: 395.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1796.34
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride?

The IUPAC name of 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride (CID 160911451) is 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride.

What is the SMILES notation for 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride?

The canonical SMILES for 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride is Cc1nc(-c2cnn(C)c2C(=O)CO)sc1Br.Cc1nc(-c2cnn(C)c2C(=O)O)c(C)s1.Cc1nc(-c2cnn(C)c2C(=O)O)sc1C1CC1.Cl.Cl.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2nc(Br)nc2C1.NC1CCn2nc(-c3cccc(F)c3)nc2C1.NC1CCn2nc(Br)nc2C1.

What is the InChIKey of 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride?

The InChIKey is STRONIHCOPAFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2N6OS.C12H13FN4.C12H13N3O2S.C10H10BrN3O2S.C10H11N3O2S.C6H9BrN4.2ClH/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;13-9-3-1-2-8(6-9)12-15-11-7-10(14)4-5-17(11)16-12;1-6-10(7-3-4-7)18-11(14-6)8-5-13-15(2)9(8)12(16)17;1-5-9(11)17-10(13-5)6-3-12-14(2)8(6)7(16)4-15;1-5-8(12-6(2)16-5)7-4-11-13(3)9(7)10(14)15;7-6-9-5-3-4(8)1-2-11(5)10-6;;/h6-8,14H,2-5H2,1H3;1-3,6,10H,4-5,7,14H2;5,7H,3-4H2,1-2H3,(H,16,17);3,15H,4H2,1-2H3;4H,1-3H3,(H,14,15);4H,1-3,8H2;2*1H.

What are the key properties of 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride?

1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride has a molecular weight of 1796.34 g/mol, XLogP of 12.26, 14 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;dihydrochloride is sourced from PubChem (CID 160911451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).