3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide

C31H25ClF3N3O — CID 98295538

About 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide

3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 98295538) has the molecular formula C31H25ClF3N3O and a molecular weight of 548.01 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

• Compound Name: 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide
• PubChem CID: 98295538
• Molecular Formula: C31H25ClF3N3O
• Molecular Weight: 548.01 g/mol
• Exact Mass: 547.16
• IUPAC Name: 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide
• SMILES: C[C@@H](NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3cccc(C(F)(F)F)c3)cn12)c1ccccc1
• InChI: InChI=1S/C31H25ClF3N3O/c1-20(21-6-3-2-4-7-21)36-29(39)17-15-27-30(22-10-13-26(32)14-11-22)37-28-16-12-24(19-38(27)28)23-8-5-9-25(18-23)31(33,34)35/h2-14,16,18-20H,15,17H2,1H3,(H,36,39)/t20-/m1/s1
• InChIKey: QDVRPVLXGWFTQG-HXUWFJFHSA-N
• XLogP: 8.15
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.01
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide?

The IUPAC name of 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide (CID 98295538) is 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide.

What is the SMILES notation for 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide?

The canonical SMILES for 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide is C[C@@H](NC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3cccc(C(F)(F)F)c3)cn12)c1ccccc1.

What is the InChIKey of 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide?

The InChIKey is QDVRPVLXGWFTQG-HXUWFJFHSA-N. The full InChI is InChI=1S/C31H25ClF3N3O/c1-20(21-6-3-2-4-7-21)36-29(39)17-15-27-30(22-10-13-26(32)14-11-22)37-28-16-12-24(19-38(27)28)23-8-5-9-25(18-23)31(33,34)35/h2-14,16,18-20H,15,17H2,1H3,(H,36,39)/t20-/m1/s1.

What are the key properties of 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide?

3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 548.01 g/mol, XLogP of 8.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 98295538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).