1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine

C23H21FN2 — CID 67141869

About 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine

1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine (PubChem CID 67141869) has the molecular formula C23H21FN2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
• PubChem CID: 67141869
• Molecular Formula: C23H21FN2
• Molecular Weight: 344.43 g/mol
• Exact Mass: 344.17
• IUPAC Name: 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
• SMILES: Cc1ccc(-c2nccc3c(C)c(C)n(Cc4cccc(F)c4)c23)cc1
• InChI: InChI=1S/C23H21FN2/c1-15-7-9-19(10-8-15)22-23-21(11-12-25-22)16(2)17(3)26(23)14-18-5-4-6-20(24)13-18/h4-13H,14H2,1-3H3
• InChIKey: GIVCMEZPJRRLSL-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	344.43
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?

The IUPAC name of 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine (CID 67141869) is 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine.

What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?

The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine is Cc1ccc(-c2nccc3c(C)c(C)n(Cc4cccc(F)c4)c23)cc1.

What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?

The InChIKey is GIVCMEZPJRRLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2/c1-15-7-9-19(10-8-15)22-23-21(11-12-25-22)16(2)17(3)26(23)14-18-5-4-6-20(24)13-18/h4-13H,14H2,1-3H3.

What are the key properties of 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?

1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine has a molecular weight of 344.43 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-fluorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67141869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).