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

C24H19F3N4O — CID 158960784

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

5,5,5-trifluoro-1-[3-[7-[2-(1-methylimidazol-2-yl)ethynyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 158960784) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-[2-(1-methylimidazol-2-yl)ethynyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

Molecular Properties

• Compound Name: 5,5,5-trifluoro-1-[3-[7-[2-(1-methylimidazol-2-yl)ethynyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• PubChem CID: 158960784
• Molecular Formula: C24H19F3N4O
• Molecular Weight: 436.44 g/mol
• Exact Mass: 436.15
• IUPAC Name: 5,5,5-trifluoro-1-[3-[7-[2-(1-methylimidazol-2-yl)ethynyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• SMILES: Cn1ccnc1C#Cc1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1
• InChI: InChI=1S/C24H19F3N4O/c1-30-12-10-28-22(30)6-5-17-8-11-31-21(16-29-23(31)15-17)19-4-2-3-18(13-19)14-20(32)7-9-24(25,26)27/h2-4,8,10-13,15-16H,7,9,14H2,1H3
• InChIKey: JMPBDHCDSDERLQ-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 52.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.44
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5,5,5-trifluoro-1-[3-[7-[2-(1-methylimidazol-2-yl)ethynyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 158960784) is 5,5,5-trifluoro-1-[3-[7-[2-(1-methylimidazol-2-yl)ethynyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

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

The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-[2-(1-methylimidazol-2-yl)ethynyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is Cn1ccnc1C#Cc1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1.

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

The InChIKey is JMPBDHCDSDERLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c1-30-12-10-28-22(30)6-5-17-8-11-31-21(16-29-23(31)15-17)19-4-2-3-18(13-19)14-20(32)7-9-24(25,26)27/h2-4,8,10-13,15-16H,7,9,14H2,1H3.

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

5,5,5-trifluoro-1-[3-[7-[2-(1-methylimidazol-2-yl)ethynyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 436.44 g/mol, XLogP of 4.59, 5 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-[2-(1-methylimidazol-2-yl)ethynyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 158960784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).