5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine

C24H22ClFN2O2 — CID 11640443

About 5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine

5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 11640443) has the molecular formula C24H22ClFN2O2 and a molecular weight of 424.90 g/mol. Its IUPAC name is 5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: 5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
• PubChem CID: 11640443
• Molecular Formula: C24H22ClFN2O2
• Molecular Weight: 424.90 g/mol
• Exact Mass: 424.14
• IUPAC Name: 5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
• SMILES: COc1cccc(Cn2c(C)c(C)c3cc(Cl)nc(OCc4ccc(F)cc4)c32)c1
• InChI: InChI=1S/C24H22ClFN2O2/c1-15-16(2)28(13-18-5-4-6-20(11-18)29-3)23-21(15)12-22(25)27-24(23)30-14-17-7-9-19(26)10-8-17/h4-12H,13-14H2,1-3H3
• InChIKey: FRMICVDYDONLAF-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 36.28 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.90
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?

The IUPAC name of 5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 11640443) is 5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine.

What is the SMILES notation for 5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?

The canonical SMILES for 5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine is COc1cccc(Cn2c(C)c(C)c3cc(Cl)nc(OCc4ccc(F)cc4)c32)c1.

What is the InChIKey of 5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?

The InChIKey is FRMICVDYDONLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O2/c1-15-16(2)28(13-18-5-4-6-20(11-18)29-3)23-21(15)12-22(25)27-24(23)30-14-17-7-9-19(26)10-8-17/h4-12H,13-14H2,1-3H3.

What are the key properties of 5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?

5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 424.90 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11640443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).