3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one

C24H26F3N3O — CID 4206782

About 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one

3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 4206782) has the molecular formula C24H26F3N3O and a molecular weight of 429.49 g/mol. Its IUPAC name is 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

• Compound Name: 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
• PubChem CID: 4206782
• Molecular Formula: C24H26F3N3O
• Molecular Weight: 429.49 g/mol
• Exact Mass: 429.20
• IUPAC Name: 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
• SMILES: Cc1ccn2c(C(CC(=O)N3CCC(C)CC3)c3cccc(C(F)(F)F)c3)cnc2c1
• InChI: InChI=1S/C24H26F3N3O/c1-16-6-9-29(10-7-16)23(31)14-20(18-4-3-5-19(13-18)24(25,26)27)21-15-28-22-12-17(2)8-11-30(21)22/h3-5,8,11-13,15-16,20H,6-7,9-10,14H2,1-2H3
• InChIKey: CCEWWGFHDCXQSY-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 37.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.49
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one?

The IUPAC name of 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one (CID 4206782) is 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one.

What is the SMILES notation for 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one?

The canonical SMILES for 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one is Cc1ccn2c(C(CC(=O)N3CCC(C)CC3)c3cccc(C(F)(F)F)c3)cnc2c1.

What is the InChIKey of 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one?

The InChIKey is CCEWWGFHDCXQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O/c1-16-6-9-29(10-7-16)23(31)14-20(18-4-3-5-19(13-18)24(25,26)27)21-15-28-22-12-17(2)8-11-30(21)22/h3-5,8,11-13,15-16,20H,6-7,9-10,14H2,1-2H3.

What are the key properties of 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one?

3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 429.49 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 4206782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).