5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C27H22F4N6O3 — CID 121249786

About 5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249786) has the molecular formula C27H22F4N6O3 and a molecular weight of 554.50 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 121249786
• Molecular Formula: C27H22F4N6O3
• Molecular Weight: 554.50 g/mol
• Exact Mass: 554.17
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cccc(OC(F)(F)F)c5)[nH]c34)cc2F)no1
• InChI: InChI=1S/C27H22F4N6O3/c1-26(2,3)25-36-23(37-40-25)24(38)33-13-16-8-7-14(12-19(16)28)18-9-10-32-22-20(18)34-21(35-22)15-5-4-6-17(11-15)39-27(29,30)31/h4-12H,13H2,1-3H3,(H,33,38)(H,32,34,35)
• InChIKey: XPSNZUXNJZEWCA-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 118.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.50
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249786) is 5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cccc(OC(F)(F)F)c5)[nH]c34)cc2F)no1.

What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is XPSNZUXNJZEWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F4N6O3/c1-26(2,3)25-36-23(37-40-25)24(38)33-13-16-8-7-14(12-19(16)28)18-9-10-32-22-20(18)34-21(35-22)15-5-4-6-17(11-15)39-27(29,30)31/h4-12H,13H2,1-3H3,(H,33,38)(H,32,34,35).

What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 554.50 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[2-fluoro-4-[2-[3-(trifluoromethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).