1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

C107H106ClF5N36O6S — CID 159837725

About 1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 159837725) has the molecular formula C107H106ClF5N36O6S and a molecular weight of 2154.78 g/mol. Its IUPAC name is 1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.

Molecular Properties

• Compound Name: 1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
• PubChem CID: 159837725
• Molecular Formula: C107H106ClF5N36O6S
• Molecular Weight: 2154.78 g/mol
• Exact Mass: 2152.84
• IUPAC Name: 1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
• SMILES: COc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CCCC4)nc3c2)c1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CCCC4)nc3c2)c1.Cc1cncc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CCCC4)nc3c2)n1.Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Cc1ccn2nc(N3CCCC3)nc2c1.Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)Cc1ccn2nc(N3CCCC3)nc2c1
• InChI: InChI=1S/C22H20F3N7O.C22H23N7O2.C22H23N7O.C21H22N8O.C20H18ClF2N7OS/c1-30-20(15(13-26-30)16-5-4-6-18(27-16)22(23,24)25)17(33)11-14-7-10-32-19(12-14)28-21(29-32)31-8-2-3-9-31;1-27-21(17(14-24-27)18-13-16(31-2)5-7-23-18)19(30)11-15-6-10-29-20(12-15)25-22(26-29)28-8-3-4-9-28;1-15-5-7-23-18(11-15)17-14-24-27(2)21(17)19(30)12-16-6-10-29-20(13-16)25-22(26-29)28-8-3-4-9-28;1-14-11-22-13-17(24-14)16-12-23-27(2)20(16)18(30)9-15-5-8-29-19(10-15)25-21(26-29)28-6-3-4-7-28;1-28-16(12(10-24-28)19-26-15(18(22)23)17(21)32-19)13(31)8-11-4-7-30-14(9-11)25-20(27-30)29-5-2-3-6-29/h4-7,10,12-13H,2-3,8-9,11H2,1H3;5-7,10,12-14H,3-4,8-9,11H2,1-2H3;5-7,10-11,13-14H,3-4,8-9,12H2,1-2H3;5,8,10-13H,3-4,6-7,9H2,1-2H3;4,7,9-10,18H,2-3,5-6,8H2,1H3
• InChIKey: NOHGWLWRJUBIJE-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 428.17 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 27
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2154.78
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?

The IUPAC name of 1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (CID 159837725) is 1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.

What is the SMILES notation for 1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?

The canonical SMILES for 1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is COc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CCCC4)nc3c2)c1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CCCC4)nc3c2)c1.Cc1cncc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CCCC4)nc3c2)n1.Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Cc1ccn2nc(N3CCCC3)nc2c1.Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)Cc1ccn2nc(N3CCCC3)nc2c1.

What is the InChIKey of 1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?

The InChIKey is NOHGWLWRJUBIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7O.C22H23N7O2.C22H23N7O.C21H22N8O.C20H18ClF2N7OS/c1-30-20(15(13-26-30)16-5-4-6-18(27-16)22(23,24)25)17(33)11-14-7-10-32-19(12-14)28-21(29-32)31-8-2-3-9-31;1-27-21(17(14-24-27)18-13-16(31-2)5-7-23-18)19(30)11-15-6-10-29-20(12-15)25-22(26-29)28-8-3-4-9-28;1-15-5-7-23-18(11-15)17-14-24-27(2)21(17)19(30)12-16-6-10-29-20(13-16)25-22(26-29)28-8-3-4-9-28;1-14-11-22-13-17(24-14)16-12-23-27(2)20(16)18(30)9-15-5-8-29-19(10-15)25-21(26-29)28-6-3-4-7-28;1-28-16(12(10-24-28)19-26-15(18(22)23)17(21)32-19)13(31)8-11-4-7-30-14(9-11)25-20(27-30)29-5-2-3-6-29/h4-7,10,12-13H,2-3,8-9,11H2,1H3;5-7,10,12-14H,3-4,8-9,11H2,1-2H3;5-7,10-11,13-14H,3-4,8-9,12H2,1-2H3;5,8,10-13H,3-4,6-7,9H2,1-2H3;4,7,9-10,18H,2-3,5-6,8H2,1H3.

What are the key properties of 1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?

1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 2154.78 g/mol, XLogP of 15.44, 27 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-chloro-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-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 159837725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).