1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

C26H22F5N5O2S — CID 135362686

About 1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 135362686) has the molecular formula C26H22F5N5O2S and a molecular weight of 563.55 g/mol. Its IUPAC name is 1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
• PubChem CID: 135362686
• Molecular Formula: C26H22F5N5O2S
• Molecular Weight: 563.55 g/mol
• Exact Mass: 563.14
• IUPAC Name: 1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
• SMILES: Cn1nc(-c2csc(C3CCN(C(=O)Cn4cccc(C(F)(F)F)c4=O)CC3)n2)cc1-c1c(F)cccc1F
• InChI: InChI=1S/C26H22F5N5O2S/c1-34-21(23-17(27)5-2-6-18(23)28)12-19(33-34)20-14-39-24(32-20)15-7-10-35(11-8-15)22(37)13-36-9-3-4-16(25(36)38)26(29,30)31/h2-6,9,12,14-15H,7-8,10-11,13H2,1H3
• InChIKey: YDJMBJOTQUNGJZ-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 73.02 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.55
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?

The IUPAC name of 1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (CID 135362686) is 1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

What is the SMILES notation for 1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?

The canonical SMILES for 1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is Cn1nc(-c2csc(C3CCN(C(=O)Cn4cccc(C(F)(F)F)c4=O)CC3)n2)cc1-c1c(F)cccc1F.

What is the InChIKey of 1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?

The InChIKey is YDJMBJOTQUNGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F5N5O2S/c1-34-21(23-17(27)5-2-6-18(23)28)12-19(33-34)20-14-39-24(32-20)15-7-10-35(11-8-15)22(37)13-36-9-3-4-16(25(36)38)26(29,30)31/h2-6,9,12,14-15H,7-8,10-11,13H2,1H3.

What are the key properties of 1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?

1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 563.55 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[4-[5-(2,6-difluorophenyl)-1-methylpyrazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 135362686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).