5-chloro-1-[2-[4-[4-[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

C24H22ClF5N6O3S — CID 135364035

About 5-chloro-1-[2-[4-[4-[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

5-chloro-1-[2-[4-[4-[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 135364035) has the molecular formula C24H22ClF5N6O3S and a molecular weight of 604.99 g/mol. Its IUPAC name is 5-chloro-1-[2-[4-[4-[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 5-chloro-1-[2-[4-[4-[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
• PubChem CID: 135364035
• Molecular Formula: C24H22ClF5N6O3S
• Molecular Weight: 604.99 g/mol
• Exact Mass: 604.11
• IUPAC Name: 5-chloro-1-[2-[4-[4-[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
• SMILES: Cn1cc(C2CC(c3csc(C4CCN(C(=O)Cn5cc(Cl)cc(C(F)(F)F)c5=O)CC4)n3)=NO2)c(C(F)F)n1
• InChI: InChI=1S/C24H22ClF5N6O3S/c1-34-9-14(20(32-34)21(26)27)18-7-16(33-39-18)17-11-40-22(31-17)12-2-4-35(5-3-12)19(37)10-36-8-13(25)6-15(23(36)38)24(28,29)30/h6,8-9,11-12,18,21H,2-5,7,10H2,1H3
• InChIKey: ZTTAZIINWSYISL-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 94.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.99
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-chloro-1-[2-[4-[4-[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (CID 135364035) is 5-chloro-1-[2-[4-[4-[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

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

The canonical SMILES for 5-chloro-1-[2-[4-[4-[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is Cn1cc(C2CC(c3csc(C4CCN(C(=O)Cn5cc(Cl)cc(C(F)(F)F)c5=O)CC4)n3)=NO2)c(C(F)F)n1.

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

The InChIKey is ZTTAZIINWSYISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF5N6O3S/c1-34-9-14(20(32-34)21(26)27)18-7-16(33-39-18)17-11-40-22(31-17)12-2-4-35(5-3-12)19(37)10-36-8-13(25)6-15(23(36)38)24(28,29)30/h6,8-9,11-12,18,21H,2-5,7,10H2,1H3.

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

5-chloro-1-[2-[4-[4-[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 604.99 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-[2-[4-[4-[5-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 135364035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).