2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride

C62H62Br3ClF3N21O4S2 — CID 158126432

About 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride

2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride (PubChem CID 158126432) has the molecular formula C62H62Br3ClF3N21O4S2 and a molecular weight of 1561.61 g/mol. Its IUPAC name is 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride.

Molecular Properties

• Compound Name: 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride
• PubChem CID: 158126432
• Molecular Formula: C62H62Br3ClF3N21O4S2
• Molecular Weight: 1561.61 g/mol
• Exact Mass: 1557.19
• IUPAC Name: 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride
• SMILES: Cc1cccc(-c2cnn(C)c2C(=O)CC2CCn3nc(Br)nc3C2)n1.Cc1cccc(-c2cnn(C)c2C(=O)Cl)n1.Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(Br)nc3C2)sc1C.Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)CC1CCn2nc(Br)nc2C1
• InChI: InChI=1S/C18H19BrN6O.C17H19BrN6OS.C16H14BrF3N6OS.C11H10ClN3O/c1-11-4-3-5-14(21-11)13-10-20-24(2)17(13)15(26)8-12-6-7-25-16(9-12)22-18(19)23-25;1-9-10(2)26-16(20-9)12-8-19-23(3)15(12)13(25)6-11-4-5-24-14(7-11)21-17(18)22-24;1-25-13(9(6-21-25)14-22-11(7-28-14)16(18,19)20)10(27)4-8-2-3-26-12(5-8)23-15(17)24-26;1-7-4-3-5-9(14-7)8-6-13-15(2)10(8)11(12)16/h3-5,10,12H,6-9H2,1-2H3;8,11H,4-7H2,1-3H3;6-8H,2-5H2,1H3;3-6H,1-2H3
• InChIKey: FSFRALOWRNOAKT-UHFFFAOYSA-N
• XLogP: 12.25
• TPSA: 283.25 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1561.61
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride?

The IUPAC name of 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride (CID 158126432) is 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride.

What is the SMILES notation for 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride?

The canonical SMILES for 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride is Cc1cccc(-c2cnn(C)c2C(=O)CC2CCn3nc(Br)nc3C2)n1.Cc1cccc(-c2cnn(C)c2C(=O)Cl)n1.Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(Br)nc3C2)sc1C.Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)CC1CCn2nc(Br)nc2C1.

What is the InChIKey of 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride?

The InChIKey is FSFRALOWRNOAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN6O.C17H19BrN6OS.C16H14BrF3N6OS.C11H10ClN3O/c1-11-4-3-5-14(21-11)13-10-20-24(2)17(13)15(26)8-12-6-7-25-16(9-12)22-18(19)23-25;1-9-10(2)26-16(20-9)12-8-19-23(3)15(12)13(25)6-11-4-5-24-14(7-11)21-17(18)22-24;1-25-13(9(6-21-25)14-22-11(7-28-14)16(18,19)20)10(27)4-8-2-3-26-12(5-8)23-15(17)24-26;1-7-4-3-5-9(14-7)8-6-13-15(2)10(8)11(12)16/h3-5,10,12H,6-9H2,1-2H3;8,11H,4-7H2,1-3H3;6-8H,2-5H2,1H3;3-6H,1-2H3.

What are the key properties of 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride?

2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride has a molecular weight of 1561.61 g/mol, XLogP of 12.25, 14 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carbonyl chloride is sourced from PubChem (CID 158126432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).