1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C117H99N29O7S6 — CID 157070942

About 1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 157070942) has the molecular formula C117H99N29O7S6 and a molecular weight of 2215.68 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

• Compound Name: 1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
• PubChem CID: 157070942
• Molecular Formula: C117H99N29O7S6
• Molecular Weight: 2215.68 g/mol
• Exact Mass: 2213.66
• IUPAC Name: 1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
• SMILES: COc1ccc(C)c(-c2cc(C(=O)Cc3nc(C)cs3)c3nncn3c2)c1.Cc1cc(C)cc(-c2cc(C(=O)Cc3nc(C)cs3)c3nncn3c2)c1.Cc1cncc(-c2cc(C(=O)Cc3nc(C)cs3)c3nncn3c2)c1.Cc1csc(CC(=O)c2cc(-c3ccc4cnn(C)c4c3)cn3cnnc23)n1.Cc1csc(CC(=O)c2cc(-c3cccc4cnn(C)c34)cn3cnnc23)n1.Cc1csc(CC(=O)c2cc(-c3ccccc3C)cn3cnnc23)n1
• InChI: InChI=1S/2C20H16N6OS.C20H18N4O2S.C20H18N4OS.C19H16N4OS.C18H15N5OS/c1-12-10-28-19(23-12)7-18(27)16-5-15(9-26-11-21-24-20(16)26)13-3-4-14-8-22-25(2)17(14)6-13;1-12-10-28-18(23-12)7-17(27)16-6-14(9-26-11-21-24-20(16)26)15-5-3-4-13-8-22-25(2)19(13)15;1-12-4-5-15(26-3)7-16(12)14-6-17(20-23-21-11-24(20)9-14)18(25)8-19-22-13(2)10-27-19;1-12-4-13(2)6-15(5-12)16-7-17(20-23-21-11-24(20)9-16)18(25)8-19-22-14(3)10-26-19;1-12-5-3-4-6-15(12)14-7-16(19-22-20-11-23(19)9-14)17(24)8-18-21-13(2)10-25-18;1-11-3-13(7-19-6-11)14-4-15(18-22-20-10-23(18)8-14)16(24)5-17-21-12(2)9-25-17/h2*3-6,8-11H,7H2,1-2H3;4-7,9-11H,8H2,1-3H3;4-7,9-11H,8H2,1-3H3;3-7,9-11H,8H2,1-2H3;3-4,6-10H,5H2,1-2H3
• InChIKey: ACKPHBDOWBXXGK-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 418.66 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 25
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2215.68
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?

The IUPAC name of 1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 157070942) is 1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

What is the SMILES notation for 1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?

The canonical SMILES for 1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is COc1ccc(C)c(-c2cc(C(=O)Cc3nc(C)cs3)c3nncn3c2)c1.Cc1cc(C)cc(-c2cc(C(=O)Cc3nc(C)cs3)c3nncn3c2)c1.Cc1cncc(-c2cc(C(=O)Cc3nc(C)cs3)c3nncn3c2)c1.Cc1csc(CC(=O)c2cc(-c3ccc4cnn(C)c4c3)cn3cnnc23)n1.Cc1csc(CC(=O)c2cc(-c3cccc4cnn(C)c34)cn3cnnc23)n1.Cc1csc(CC(=O)c2cc(-c3ccccc3C)cn3cnnc23)n1.

What is the InChIKey of 1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?

The InChIKey is ACKPHBDOWBXXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H16N6OS.C20H18N4O2S.C20H18N4OS.C19H16N4OS.C18H15N5OS/c1-12-10-28-19(23-12)7-18(27)16-5-15(9-26-11-21-24-20(16)26)13-3-4-14-8-22-25(2)17(14)6-13;1-12-10-28-18(23-12)7-17(27)16-6-14(9-26-11-21-24-20(16)26)15-5-3-4-13-8-22-25(2)19(13)15;1-12-4-5-15(26-3)7-16(12)14-6-17(20-23-21-11-24(20)9-14)18(25)8-19-22-13(2)10-27-19;1-12-4-13(2)6-15(5-12)16-7-17(20-23-21-11-24(20)9-16)18(25)8-19-22-14(3)10-26-19;1-12-5-3-4-6-15(12)14-7-16(19-22-20-11-23(19)9-14)17(24)8-18-21-13(2)10-25-18;1-11-3-13(7-19-6-11)14-4-15(18-22-20-10-23(18)8-14)16(24)5-17-21-12(2)9-25-17/h2*3-6,8-11H,7H2,1-2H3;4-7,9-11H,8H2,1-3H3;4-7,9-11H,8H2,1-3H3;3-7,9-11H,8H2,1-2H3;3-4,6-10H,5H2,1-2H3.

What are the key properties of 1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?

1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 2215.68 g/mol, XLogP of 22.24, 25 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methoxy-2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-6-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(1-methylindazol-7-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 157070942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).