1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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

C84H79F11N28O4S3 — CID 158781734

About 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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 (PubChem CID 158781734) has the molecular formula C84H79F11N28O4S3 and a molecular weight of 1849.93 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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.

Molecular Properties

• Compound Name: 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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
• PubChem CID: 158781734
• Molecular Formula: C84H79F11N28O4S3
• Molecular Weight: 1849.93 g/mol
• Exact Mass: 1848.58
• IUPAC Name: 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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
• SMILES: Cc1cc(C)nc(-c2cnn(C)c2C(=O)Cc2cc3nc(N4CC[C@H](F)C4)nn3cc2F)c1.Cc1sc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)nc1C(F)F.Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Cc1ccn2nc(N3CC[C@H](F)C3)nc2c1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Cc1ccn2nc(N3CCCC3)nc2c1
• InChI: InChI=1S/C23H23F2N7O.C21H20F3N7OS.C20H17F4N7OS.C20H19F2N7OS/c1-13-6-14(2)27-19(7-13)17-10-26-30(3)22(17)20(33)8-15-9-21-28-23(29-32(21)12-18(15)25)31-5-4-16(24)11-31;1-11-17(19(23)24)27-20(33-11)14-9-25-29(2)18(14)15(32)7-12-3-6-31-16(8-12)26-21(28-31)30-5-4-13(22)10-30;1-29-17(13(8-25-29)18-26-15(10-33-18)20(22,23)24)14(32)6-11-2-5-31-16(7-11)27-19(28-31)30-4-3-12(21)9-30;1-27-17(13(10-23-27)19-24-14(11-31-19)18(21)22)15(30)8-12-4-7-29-16(9-12)25-20(26-29)28-5-2-3-6-28/h6-7,9-10,12,16H,4-5,8,11H2,1-3H3;3,6,8-9,13,19H,4-5,7,10H2,1-2H3;2,5,7-8,10,12H,3-4,6,9H2,1H3;4,7,9-11,18H,2-3,5-6,8H2,1H3/t16-;13-;12-;/m000./s1
• InChIKey: IRDZOLBNXBBBEF-NUHODEQGSA-N
• XLogP: 14.19
• TPSA: 324.84 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1849.93
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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?

The IUPAC name of 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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 (CID 158781734) is 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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.

What is the SMILES notation for 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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?

The canonical SMILES for 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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 is Cc1cc(C)nc(-c2cnn(C)c2C(=O)Cc2cc3nc(N4CC[C@H](F)C4)nn3cc2F)c1.Cc1sc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)nc1C(F)F.Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Cc1ccn2nc(N3CC[C@H](F)C3)nc2c1.Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Cc1ccn2nc(N3CCCC3)nc2c1.

What is the InChIKey of 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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?

The InChIKey is IRDZOLBNXBBBEF-NUHODEQGSA-N. The full InChI is InChI=1S/C23H23F2N7O.C21H20F3N7OS.C20H17F4N7OS.C20H19F2N7OS/c1-13-6-14(2)27-19(7-13)17-10-26-30(3)22(17)20(33)8-15-9-21-28-23(29-32(21)12-18(15)25)31-5-4-16(24)11-31;1-11-17(19(23)24)27-20(33-11)14-9-25-29(2)18(14)15(32)7-12-3-6-31-16(8-12)26-21(28-31)30-5-4-13(22)10-30;1-29-17(13(8-25-29)18-26-15(10-33-18)20(22,23)24)14(32)6-11-2-5-31-16(7-11)27-19(28-31)30-4-3-12(21)9-30;1-27-17(13(10-23-27)19-24-14(11-31-19)18(21)22)15(30)8-12-4-7-29-16(9-12)25-20(26-29)28-5-2-3-6-28/h6-7,9-10,12,16H,4-5,8,11H2,1-3H3;3,6,8-9,13,19H,4-5,7,10H2,1-2H3;2,5,7-8,10,12H,3-4,6,9H2,1H3;4,7,9-11,18H,2-3,5-6,8H2,1H3/t16-;13-;12-;/m000./s1.

What are the key properties of 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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 has a molecular weight of 1849.93 g/mol, XLogP of 14.19, 22 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[6-fluoro-2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[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 is sourced from PubChem (CID 158781734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).