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

C25H23F3N4O — CID 159734873

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

5,5,5-trifluoro-1-[3-[7-(4-propan-2-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 159734873) has the molecular formula C25H23F3N4O and a molecular weight of 452.48 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-(4-propan-2-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

Molecular Properties

• Compound Name: 5,5,5-trifluoro-1-[3-[7-(4-propan-2-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• PubChem CID: 159734873
• Molecular Formula: C25H23F3N4O
• Molecular Weight: 452.48 g/mol
• Exact Mass: 452.18
• IUPAC Name: 5,5,5-trifluoro-1-[3-[7-(4-propan-2-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• SMILES: CC(C)c1ccnc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)n1
• InChI: InChI=1S/C25H23F3N4O/c1-16(2)21-7-10-29-24(31-21)19-8-11-32-22(15-30-23(32)14-19)18-5-3-4-17(12-18)13-20(33)6-9-25(26,27)28/h3-5,7-8,10-12,14-16H,6,9,13H2,1-2H3
• InChIKey: NBRZLHSJVRSTEY-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 60.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.48
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5,5,5-trifluoro-1-[3-[7-(4-propan-2-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 159734873) is 5,5,5-trifluoro-1-[3-[7-(4-propan-2-ylpyrimidin-2-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-(4-propan-2-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-(4-propan-2-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is CC(C)c1ccnc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)n1.

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

The InChIKey is NBRZLHSJVRSTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O/c1-16(2)21-7-10-29-24(31-21)19-8-11-32-22(15-30-23(32)14-19)18-5-3-4-17(12-18)13-20(33)6-9-25(26,27)28/h3-5,7-8,10-12,14-16H,6,9,13H2,1-2H3.

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

5,5,5-trifluoro-1-[3-[7-(4-propan-2-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 452.48 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,5-trifluoro-1-[3-[7-(4-propan-2-ylpyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 159734873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).