3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine

C17H17FN2O3S — CID 90417040

IUPAC3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine
SMILESCOc1ncc(C)c2c(-c3cc(S(C)(=O)=O)ccc3F)cn(C)c12
InChIInChI=1S/C17H17FN2O3S/c1-10-8-19-17(23-3)16-15(10)13(9-20(16)2)12-7-11(24(4,21)22)5-6-14(12)18/h5-9H,1-4H3
InChIKeyHYHBLWSZTROQFC-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.10
Rot. Bonds3

About 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine

3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 90417040) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine
PubChem CID90417040
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine
SMILESCOc1ncc(C)c2c(-c3cc(S(C)(=O)=O)ccc3F)cn(C)c12
InChIInChI=1S/C17H17FN2O3S/c1-10-8-19-17(23-3)16-15(10)13(9-20(16)2)12-7-11(24(4,21)22)5-6-14(12)18/h5-9H,1-4H3
InChIKeyHYHBLWSZTROQFC-UHFFFAOYSA-N
XLogP3.10
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine (CID 90417040) is 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine is COc1ncc(C)c2c(-c3cc(S(C)(=O)=O)ccc3F)cn(C)c12.
What is the InChIKey of 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is HYHBLWSZTROQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-10-8-19-17(23-3)16-15(10)13(9-20(16)2)12-7-11(24(4,21)22)5-6-14(12)18/h5-9H,1-4H3.
What are the key properties of 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine?
3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 348.40 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylsulfonylphenyl)-7-methoxy-1,4-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 90417040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).