N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide

C31H28FN3O2 — CID 4156495

About N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide

N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 4156495) has the molecular formula C31H28FN3O2 and a molecular weight of 493.58 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
• PubChem CID: 4156495
• Molecular Formula: C31H28FN3O2
• Molecular Weight: 493.58 g/mol
• Exact Mass: 493.22
• IUPAC Name: N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
• SMILES: Cc1ccccc1C(CC(=O)NCc1ccc(F)cc1)c1cnc2c(OCc3ccccc3)cccn12
• InChI: InChI=1S/C31H28FN3O2/c1-22-8-5-6-11-26(22)27(18-30(36)33-19-23-13-15-25(32)16-14-23)28-20-34-31-29(12-7-17-35(28)31)37-21-24-9-3-2-4-10-24/h2-17,20,27H,18-19,21H2,1H3,(H,33,36)
• InChIKey: FQQQVOHGXMCTJX-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.58
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (CID 4156495) is N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is Cc1ccccc1C(CC(=O)NCc1ccc(F)cc1)c1cnc2c(OCc3ccccc3)cccn12.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?

The InChIKey is FQQQVOHGXMCTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN3O2/c1-22-8-5-6-11-26(22)27(18-30(36)33-19-23-13-15-25(32)16-14-23)28-20-34-31-29(12-7-17-35(28)31)37-21-24-9-3-2-4-10-24/h2-17,20,27H,18-19,21H2,1H3,(H,33,36).

What are the key properties of N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?

N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 493.58 g/mol, XLogP of 6.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 4156495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).