4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide

C22H14F7N5O — CID 158381879

About 4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide

4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide (PubChem CID 158381879) has the molecular formula C22H14F7N5O and a molecular weight of 497.37 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide.

Molecular Properties

• Compound Name: 4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide
• PubChem CID: 158381879
• Molecular Formula: C22H14F7N5O
• Molecular Weight: 497.37 g/mol
• Exact Mass: 497.11
• IUPAC Name: 4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide
• SMILES: O=C(CCC(F)(F)F)Nc1cc(F)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)c1
• InChI: InChI=1S/C22H14F7N5O/c23-14-7-13(8-15(10-14)32-19(35)1-4-21(24,25)26)17-11-31-18-9-12(3-6-34(17)18)16-2-5-30-20(33-16)22(27,28)29/h2-3,5-11H,1,4H2,(H,32,35)
• InChIKey: GVWVZODAHQKXDL-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.37
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide?

The IUPAC name of 4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide (CID 158381879) is 4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide.

What is the SMILES notation for 4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide?

The canonical SMILES for 4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide is O=C(CCC(F)(F)F)Nc1cc(F)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)c1.

What is the InChIKey of 4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide?

The InChIKey is GVWVZODAHQKXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F7N5O/c23-14-7-13(8-15(10-14)32-19(35)1-4-21(24,25)26)17-11-31-18-9-12(3-6-34(17)18)16-2-5-30-20(33-16)22(27,28)29/h2-3,5-11H,1,4H2,(H,32,35).

What are the key properties of 4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide?

4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide has a molecular weight of 497.37 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,4-trifluoro-N-[3-fluoro-5-[7-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]butanamide is sourced from PubChem (CID 158381879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).