N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide

C25H22F3N3O — CID 3418425

About N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide

N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 3418425) has the molecular formula C25H22F3N3O and a molecular weight of 437.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
• PubChem CID: 3418425
• Molecular Formula: C25H22F3N3O
• Molecular Weight: 437.47 g/mol
• Exact Mass: 437.17
• IUPAC Name: N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
• SMILES: Cc1ccc(NC(=O)CC(c2cccc(C(F)(F)F)c2)c2cnc3ccccn23)cc1C
• InChI: InChI=1S/C25H22F3N3O/c1-16-9-10-20(12-17(16)2)30-24(32)14-21(18-6-5-7-19(13-18)25(26,27)28)22-15-29-23-8-3-4-11-31(22)23/h3-13,15,21H,14H2,1-2H3,(H,30,32)
• InChIKey: KXSCVZIKJHQXSD-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.47
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide?

The IUPAC name of N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide (CID 3418425) is N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide is Cc1ccc(NC(=O)CC(c2cccc(C(F)(F)F)c2)c2cnc3ccccn23)cc1C.

What is the InChIKey of N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide?

The InChIKey is KXSCVZIKJHQXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O/c1-16-9-10-20(12-17(16)2)30-24(32)14-21(18-6-5-7-19(13-18)25(26,27)28)22-15-29-23-8-3-4-11-31(22)23/h3-13,15,21H,14H2,1-2H3,(H,30,32).

What are the key properties of N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide?

N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 437.47 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 3418425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).