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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;dihydrochloride

C83H98Br6Cl2F3N29O11S3 — CID 160507926

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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;dihydrochloride (PubChem CID 160507926) has the molecular formula C83H98Br6Cl2F3N29O11S3 and a molecular weight of 2381.41 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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;dihydrochloride
• PubChem CID: 160507926
• Molecular Formula: C83H98Br6Cl2F3N29O11S3
• Molecular Weight: 2381.41 g/mol
• Exact Mass: 2373.16
• 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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;dihydrochloride
• SMILES: CC(C)(C)OC(=O)CC1CCn2nc(Br)nc2C1.COC(=O)C1CCn2nc(Br)nc2C1.Cc1nc(-c2cnn(C)c2C(=O)CO)sc1Br.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.O=C(O)C1CCn2nc(Br)nc2C1
• InChI: InChI=1S/C16H15BrF2N6OS.C12H18BrN3O2.C12H13FN4.C12H13N3O2S.C10H10BrN3O2S.C8H10BrN3O2.C7H8BrN3O2.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;1-12(2,3)18-10(17)7-8-4-5-16-9(6-8)14-11(13)15-16;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;1-14-7(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;7-6-9-5-3-4(8)1-2-11(5)10-6;;/h6-8,14H,2-5H2,1H3;8H,4-7H2,1-3H3;1-3,6,10H,4-5,7,14H2;5,7H,3-4H2,1-2H3,(H,16,17);3,15H,4H2,1-2H3;5H,2-4H2,1H3;4H,1-3H2,(H,12,13);4H,1-3,8H2;2*1H
• InChIKey: AXKIYUADWSYSIA-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 510.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2381.41
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;dihydrochloride (CID 160507926) 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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;dihydrochloride is CC(C)(C)OC(=O)CC1CCn2nc(Br)nc2C1.COC(=O)C1CCn2nc(Br)nc2C1.Cc1nc(-c2cnn(C)c2C(=O)CO)sc1Br.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.O=C(O)C1CCn2nc(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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;dihydrochloride?

The InChIKey is AXKIYUADWSYSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2N6OS.C12H18BrN3O2.C12H13FN4.C12H13N3O2S.C10H10BrN3O2S.C8H10BrN3O2.C7H8BrN3O2.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;1-12(2,3)18-10(17)7-8-4-5-16-9(6-8)14-11(13)15-16;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;1-14-7(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;7-6-9-5-3-4(8)1-2-11(5)10-6;;/h6-8,14H,2-5H2,1H3;8H,4-7H2,1-3H3;1-3,6,10H,4-5,7,14H2;5,7H,3-4H2,1-2H3,(H,16,17);3,15H,4H2,1-2H3;5H,2-4H2,1H3;4H,1-3H2,(H,12,13);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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;dihydrochloride has a molecular weight of 2381.41 g/mol, XLogP of 14.20, 16 rotatable bonds, 5 hydrogen bond donors, and 41 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-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;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;tert-butyl 2-(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(5-cyclopropyl-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine;methyl 2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;dihydrochloride is sourced from PubChem (CID 160507926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).