N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

C25H24FN3O3 — CID 53118564

About N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 53118564) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
• PubChem CID: 53118564
• Molecular Formula: C25H24FN3O3
• Molecular Weight: 433.48 g/mol
• Exact Mass: 433.18
• IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
• SMILES: COc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn23)cc1OC
• InChI: InChI=1S/C25H24FN3O3/c1-31-21-12-6-17(15-22(21)32-2)16-27-24(30)13-11-20-25(18-7-9-19(26)10-8-18)28-23-5-3-4-14-29(20)23/h3-10,12,14-15H,11,13,16H2,1-2H3,(H,27,30)
• InChIKey: SWMSHGNALSINMT-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.48
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?

The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (CID 53118564) is N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.

What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?

The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is COc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn23)cc1OC.

What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?

The InChIKey is SWMSHGNALSINMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-31-21-12-6-17(15-22(21)32-2)16-27-24(30)13-11-20-25(18-7-9-19(26)10-8-18)28-23-5-3-4-14-29(20)23/h3-10,12,14-15H,11,13,16H2,1-2H3,(H,27,30).

What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?

N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 433.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 53118564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).