5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one

C22H15Cl3F3N5O3 — CID 129143230

About 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one

5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one (PubChem CID 129143230) has the molecular formula C22H15Cl3F3N5O3 and a molecular weight of 560.75 g/mol. Its IUPAC name is 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one.

Molecular Properties

• Compound Name: 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one
• PubChem CID: 129143230
• Molecular Formula: C22H15Cl3F3N5O3
• Molecular Weight: 560.75 g/mol
• Exact Mass: 559.02
• IUPAC Name: 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one
• SMILES: CN1CC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CCC1=O
• InChI: InChI=1S/C22H15Cl3F3N5O3/c1-32-8-11(2-3-18(32)34)35-17-6-13(23)12(5-14(17)24)19-30-21(36-31-19)16-9-33-7-10(22(26,27)28)4-15(25)20(33)29-16/h4-7,9,11H,2-3,8H2,1H3
• InChIKey: RTWGBZCWBSISJT-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 85.76 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.75
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one?

The IUPAC name of 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one (CID 129143230) is 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one.

What is the SMILES notation for 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one?

The canonical SMILES for 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one is CN1CC(Oc2cc(Cl)c(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2Cl)CCC1=O.

What is the InChIKey of 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one?

The InChIKey is RTWGBZCWBSISJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3F3N5O3/c1-32-8-11(2-3-18(32)34)35-17-6-13(23)12(5-14(17)24)19-30-21(36-31-19)16-9-33-7-10(22(26,27)28)4-15(25)20(33)29-16/h4-7,9,11H,2-3,8H2,1H3.

What are the key properties of 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one?

5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one has a molecular weight of 560.75 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,5-dichloro-4-[5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-1-methylpiperidin-2-one is sourced from PubChem (CID 129143230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).