1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;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;hydrochloride

C60H63Br2ClF3N19O7S4 — CID 158961688

About 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;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;hydrochloride

1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;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;hydrochloride (PubChem CID 158961688) has the molecular formula C60H63Br2ClF3N19O7S4 and a molecular weight of 1542.81 g/mol. Its IUPAC name is 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;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;hydrochloride.

Molecular Properties

• Compound Name: 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;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;hydrochloride
• PubChem CID: 158961688
• Molecular Formula: C60H63Br2ClF3N19O7S4
• Molecular Weight: 1542.81 g/mol
• Exact Mass: 1539.20
• IUPAC Name: 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;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;hydrochloride
• 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.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2nc(Br)nc2C1.NC1CCn2nc(-c3cccc(F)c3)nc2C1
• InChI: InChI=1S/C16H15BrF2N6OS.C12H13FN4.C12H13N3O2S.C10H10BrN3O2S.C10H11N3O2S.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;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;/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);1H
• InChIKey: HDCHQARRLYIYCH-UHFFFAOYSA-N
• XLogP: 11.53
• TPSA: 339.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1542.81
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

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-(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;hydrochloride?

The IUPAC name of 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;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;hydrochloride (CID 158961688) is 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;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;hydrochloride.

What is the SMILES notation for 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;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;hydrochloride?

The canonical SMILES for 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;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;hydrochloride 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.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2nc(Br)nc2C1.NC1CCn2nc(-c3cccc(F)c3)nc2C1.

What is the InChIKey of 1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;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;hydrochloride?

The InChIKey is HDCHQARRLYIYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2N6OS.C12H13FN4.C12H13N3O2S.C10H10BrN3O2S.C10H11N3O2S.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;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;/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);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-(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;hydrochloride?

1-[4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;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;hydrochloride has a molecular weight of 1542.81 g/mol, XLogP of 11.53, 14 rotatable bonds, 4 hydrogen bond donors, and 28 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-(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;hydrochloride is sourced from PubChem (CID 158961688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).