1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

C114H89F8N31O6S4 — CID 159173964

About 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 159173964) has the molecular formula C114H89F8N31O6S4 and a molecular weight of 2269.43 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
• PubChem CID: 159173964
• Molecular Formula: C114H89F8N31O6S4
• Molecular Weight: 2269.43 g/mol
• Exact Mass: 2267.64
• IUPAC Name: 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
• SMILES: CCc1csc(-c2cnn(C)c2C(=O)Cc2ccn3nc(-c4ccccc4)nc3c2)n1.COc1ccccc1-c1nc2cc(CC(=O)c3c(-c4nc(C(F)F)cs4)cnn3C)ccn2n1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Cc1ccn2nc(-c3cccc(F)c3)nc2c1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Cc1ccn2nc(-c3ccccc3)nc2c1
• InChI: InChI=1S/C24H20FN7O.C23H18F2N6O2S.C23H20N6OS.C22H15F3N6OS.C22H16F2N6OS/c1-14-11-26-15(2)22(28-14)18-12-27-31(3)23(18)20(33)9-17-10-21-29-24(16-7-5-4-6-8-16)30-32(21)13-19(17)25;1-30-20(15(11-26-30)23-27-16(12-34-23)21(24)25)17(32)9-13-7-8-31-19(10-13)28-22(29-31)14-5-3-4-6-18(14)33-2;1-3-17-14-31-23(25-17)18-13-24-28(2)21(18)19(30)11-15-9-10-29-20(12-15)26-22(27-29)16-7-5-4-6-8-16;1-30-19(15(10-26-30)22-27-16(11-33-22)20(24)25)17(32)7-12-5-6-31-18(8-12)28-21(29-31)13-3-2-4-14(23)9-13;1-29-19(15(11-25-29)22-26-16(12-32-22)20(23)24)17(31)9-13-7-8-30-18(10-13)27-21(28-30)14-5-3-2-4-6-14/h4-8,10-13H,9H2,1-3H3;3-8,10-12,21H,9H2,1-2H3;4-10,12-14H,3,11H2,1-2H3;2-6,8-11,20H,7H2,1H3;2-8,10-12,20H,9H2,1H3
• InChIKey: KMASZQAHDWVPQW-UHFFFAOYSA-N
• XLogP: 22.01
• TPSA: 411.97 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 30
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2269.43
LogP ≤ 5	22.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?

The IUPAC name of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (CID 159173964) is 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.

What is the SMILES notation for 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?

The canonical SMILES for 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is CCc1csc(-c2cnn(C)c2C(=O)Cc2ccn3nc(-c4ccccc4)nc3c2)n1.COc1ccccc1-c1nc2cc(CC(=O)c3c(-c4nc(C(F)F)cs4)cnn3C)ccn2n1.Cc1cnc(C)c(-c2cnn(C)c2C(=O)Cc2cc3nc(-c4ccccc4)nn3cc2F)n1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Cc1ccn2nc(-c3cccc(F)c3)nc2c1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Cc1ccn2nc(-c3ccccc3)nc2c1.

What is the InChIKey of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?

The InChIKey is KMASZQAHDWVPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O.C23H18F2N6O2S.C23H20N6OS.C22H15F3N6OS.C22H16F2N6OS/c1-14-11-26-15(2)22(28-14)18-12-27-31(3)23(18)20(33)9-17-10-21-29-24(16-7-5-4-6-8-16)30-32(21)13-19(17)25;1-30-20(15(11-26-30)23-27-16(12-34-23)21(24)25)17(32)9-13-7-8-31-19(10-13)28-22(29-31)14-5-3-4-6-18(14)33-2;1-3-17-14-31-23(25-17)18-13-24-28(2)21(18)19(30)11-15-9-10-29-20(12-15)26-22(27-29)16-7-5-4-6-8-16;1-30-19(15(10-26-30)22-27-16(11-33-22)20(24)25)17(32)7-12-5-6-31-18(8-12)28-21(29-31)13-3-2-4-14(23)9-13;1-29-19(15(11-25-29)22-26-16(12-32-22)20(23)24)17(31)9-13-7-8-30-18(10-13)27-21(28-30)14-5-3-2-4-6-14/h4-8,10-13H,9H2,1-3H3;3-8,10-12,21H,9H2,1-2H3;4-10,12-14H,3,11H2,1-2H3;2-6,8-11,20H,7H2,1H3;2-8,10-12,20H,9H2,1H3.

What are the key properties of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?

1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 2269.43 g/mol, XLogP of 22.01, 30 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 159173964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).