3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine

C17H17FN2O3S — CID 90418101

IUPAC3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine
SMILESCCS(=O)(=O)c1ccc(F)c(-c2cn(C)c3c(OC)nccc23)c1
InChIInChI=1S/C17H17FN2O3S/c1-4-24(21,22)11-5-6-15(18)13(9-11)14-10-20(2)16-12(14)7-8-19-17(16)23-3/h5-10H,4H2,1-3H3
InChIKeyPZXVKVQRBHNRPG-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.18
Rot. Bonds4

About 3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine

3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine (PubChem CID 90418101) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine
PubChem CID90418101
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine
SMILESCCS(=O)(=O)c1ccc(F)c(-c2cn(C)c3c(OC)nccc23)c1
InChIInChI=1S/C17H17FN2O3S/c1-4-24(21,22)11-5-6-15(18)13(9-11)14-10-20(2)16-12(14)7-8-19-17(16)23-3/h5-10H,4H2,1-3H3
InChIKeyPZXVKVQRBHNRPG-UHFFFAOYSA-N
XLogP3.18
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine (CID 90418101) is 3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine is CCS(=O)(=O)c1ccc(F)c(-c2cn(C)c3c(OC)nccc23)c1.
What is the InChIKey of 3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine?
The InChIKey is PZXVKVQRBHNRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-4-24(21,22)11-5-6-15(18)13(9-11)14-10-20(2)16-12(14)7-8-19-17(16)23-3/h5-10H,4H2,1-3H3.
What are the key properties of 3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine?
3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine has a molecular weight of 348.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylsulfonyl-2-fluorophenyl)-7-methoxy-1-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 90418101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).