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

C23H19F3N4O2 — CID 147786851

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

5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 147786851) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

Molecular Properties

• Compound Name: 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• PubChem CID: 147786851
• Molecular Formula: C23H19F3N4O2
• Molecular Weight: 440.43 g/mol
• Exact Mass: 440.15
• IUPAC Name: 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• SMILES: COc1cncnc1-c1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1
• InChI: InChI=1S/C23H19F3N4O2/c1-32-20-13-27-14-29-22(20)17-6-8-30-19(12-28-21(30)11-17)16-4-2-3-15(9-16)10-18(31)5-7-23(24,25)26/h2-4,6,8-9,11-14H,5,7,10H2,1H3
• InChIKey: HIVVZUHAEITOGQ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 69.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.43
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 147786851) is 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

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

The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is COc1cncnc1-c1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1.

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

The InChIKey is HIVVZUHAEITOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-32-20-13-27-14-29-22(20)17-6-8-30-19(12-28-21(30)11-17)16-4-2-3-15(9-16)10-18(31)5-7-23(24,25)26/h2-4,6,8-9,11-14H,5,7,10H2,1H3.

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

5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 440.43 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 147786851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).