1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

C68H64F6N18O4S3 — CID 158846283

About 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[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-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 158846283) has the molecular formula C68H64F6N18O4S3 and a molecular weight of 1407.57 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[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-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
• PubChem CID: 158846283
• Molecular Formula: C68H64F6N18O4S3
• Molecular Weight: 1407.57 g/mol
• Exact Mass: 1406.44
• IUPAC Name: 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
• SMILES: Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)c(C(C)O)s1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2nc(-c3cccc(F)c3)nc2C1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2nc(-c3ccccc3F)nc2C1
• InChI: InChI=1S/C24H26N6O2S.2C22H19F3N6OS/c1-14(31)23-21(26-15(2)33-23)18-13-25-29(3)22(18)19(32)11-16-9-10-30-20(12-16)27-24(28-30)17-7-5-4-6-8-17;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;1-30-19(14(10-26-30)22-27-16(11-33-22)20(24)25)17(32)8-12-6-7-31-18(9-12)28-21(29-31)13-4-2-3-5-15(13)23/h4-8,13-14,16,31H,9-12H2,1-3H3;2-4,9-12,20H,5-8H2,1H3;2-5,10-12,20H,6-9H2,1H3
• InChIKey: IYWLSDMAZGIKIN-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 255.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1407.57
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[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-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (CID 158846283) is 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[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-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[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-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)c(C(C)O)s1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2nc(-c3cccc(F)c3)nc2C1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)CC1CCn2nc(-c3ccccc3F)nc2C1.

What is the InChIKey of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?

The InChIKey is IYWLSDMAZGIKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S.2C22H19F3N6OS/c1-14(31)23-21(26-15(2)33-23)18-13-25-29(3)22(18)19(32)11-16-9-10-30-20(12-16)27-24(28-30)17-7-5-4-6-8-17;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;1-30-19(14(10-26-30)22-27-16(11-33-22)20(24)25)17(32)8-12-6-7-31-18(9-12)28-21(29-31)13-4-2-3-5-15(13)23/h4-8,13-14,16,31H,9-12H2,1-3H3;2-4,9-12,20H,5-8H2,1H3;2-5,10-12,20H,6-9H2,1H3.

What are the key properties of 1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[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-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 1407.57 g/mol, XLogP of 13.43, 18 rotatable bonds, 1 hydrogen bond donors, and 25 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-(2-fluorophenyl)-5,6,7,8-tetrahydro-[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)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 158846283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).