2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide

C24H23FN4OS — CID 20890651

About 2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 20890651) has the molecular formula C24H23FN4OS and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 20890651
• Molecular Formula: C24H23FN4OS
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.16
• IUPAC Name: 2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(NC(=O)Cn2c(SCc3ccc(F)cc3)nc3ccncc32)cc1
• InChI: InChI=1S/C24H23FN4OS/c1-16(2)18-5-9-20(10-6-18)27-23(30)14-29-22-13-26-12-11-21(22)28-24(29)31-15-17-3-7-19(25)8-4-17/h3-13,16H,14-15H2,1-2H3,(H,27,30)
• InChIKey: CLGHCQVKILWWIM-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 20890651) is 2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2c(SCc3ccc(F)cc3)nc3ccncc32)cc1.

What is the InChIKey of 2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is CLGHCQVKILWWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4OS/c1-16(2)18-5-9-20(10-6-18)27-23(30)14-29-22-13-26-12-11-21(22)28-24(29)31-15-17-3-7-19(25)8-4-17/h3-13,16H,14-15H2,1-2H3,(H,27,30).

What are the key properties of 2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide?

2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 20890651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).