5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

C23H17F4N3O — CID 157063395

About 5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 157063395) has the molecular formula C23H17F4N3O and a molecular weight of 427.40 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

Molecular Properties

• Compound Name: 5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• PubChem CID: 157063395
• Molecular Formula: C23H17F4N3O
• Molecular Weight: 427.40 g/mol
• Exact Mass: 427.13
• IUPAC Name: 5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• SMILES: O=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(-c4cc(F)ccn4)ccn23)c1
• InChI: InChI=1S/C23H17F4N3O/c24-18-5-8-28-20(13-18)16-6-9-30-21(14-29-22(30)12-16)17-3-1-2-15(10-17)11-19(31)4-7-23(25,26)27/h1-3,5-6,8-10,12-14H,4,7,11H2
• InChIKey: ABOYTJLSCGKBIP-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 47.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.40
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The IUPAC name of 5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 157063395) is 5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

What is the SMILES notation for 5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is O=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(-c4cc(F)ccn4)ccn23)c1.

What is the InChIKey of 5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The InChIKey is ABOYTJLSCGKBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N3O/c24-18-5-8-28-20(13-18)16-6-9-30-21(14-29-22(30)12-16)17-3-1-2-15(10-17)11-19(31)4-7-23(25,26)27/h1-3,5-6,8-10,12-14H,4,7,11H2.

What are the key properties of 5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 427.40 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 157063395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).