5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole

C26H16Cl3F3N4O4 — CID 46235158

About 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole

5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole (PubChem CID 46235158) has the molecular formula C26H16Cl3F3N4O4 and a molecular weight of 611.79 g/mol. Its IUPAC name is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole
• PubChem CID: 46235158
• Molecular Formula: C26H16Cl3F3N4O4
• Molecular Weight: 611.79 g/mol
• Exact Mass: 610.02
• IUPAC Name: 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole
• SMILES: FC(F)(F)c1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(OC5COC(c6ccccc6)OC5)cc4Cl)no3)cn2c1
• InChI: InChI=1S/C26H16Cl3F3N4O4/c27-17-8-21(39-15-11-37-25(38-12-15)13-4-2-1-3-5-13)18(28)7-16(17)22-34-24(40-35-22)20-10-36-9-14(26(30,31)32)6-19(29)23(36)33-20/h1-10,15,25H,11-12H2
• InChIKey: FQGJKGWGKQSGPJ-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 83.91 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.79
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole (CID 46235158) is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole is FC(F)(F)c1cc(Cl)c2nc(-c3nc(-c4cc(Cl)c(OC5COC(c6ccccc6)OC5)cc4Cl)no3)cn2c1.

What is the InChIKey of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole?

The InChIKey is FQGJKGWGKQSGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl3F3N4O4/c27-17-8-21(39-15-11-37-25(38-12-15)13-4-2-1-3-5-13)18(28)7-16(17)22-34-24(40-35-22)20-10-36-9-14(26(30,31)32)6-19(29)23(36)33-20/h1-10,15,25H,11-12H2.

What are the key properties of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole?

5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 611.79 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[2,5-dichloro-4-[(2-phenyl-1,3-dioxan-5-yl)oxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46235158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).