3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine

C23H20F2N2O4S — CID 90416263

IUPAC3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine
SMILESCOc1nccc2c(-c3cc(CS(C)(=O)=O)ccc3Oc3ccc(F)cc3F)cn(C)c12
InChIInChI=1S/C23H20F2N2O4S/c1-27-12-18(16-8-9-26-23(30-2)22(16)27)17-10-14(13-32(3,28)29)4-6-20(17)31-21-7-5-15(24)11-19(21)25/h4-12H,13H2,1-3H3
InChIKeyGSEKHFPRIAZECO-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.86
Rot. Bonds6

About 3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine

3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine (PubChem CID 90416263) has the molecular formula C23H20F2N2O4S and a molecular weight of 458.49 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine
PubChem CID90416263
Molecular FormulaC23H20F2N2O4S
Molecular Weight458.49 g/mol
Exact Mass458.11
IUPAC Name3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine
SMILESCOc1nccc2c(-c3cc(CS(C)(=O)=O)ccc3Oc3ccc(F)cc3F)cn(C)c12
InChIInChI=1S/C23H20F2N2O4S/c1-27-12-18(16-8-9-26-23(30-2)22(16)27)17-10-14(13-32(3,28)29)4-6-20(17)31-21-7-5-15(24)11-19(21)25/h4-12H,13H2,1-3H3
InChIKeyGSEKHFPRIAZECO-UHFFFAOYSA-N
XLogP4.86
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[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

Related Compounds

2-cyclopropyl-N-(2,4-difluorophenyl)-6-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)-4-(methylsulfonylmethyl)aniline
CID 90388201
3-[5-(benzenesulfonylmethyl)-2-(2,4-difluorophenoxy)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 86287960
3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 90416675
3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 86288169
7-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5-methylfuro[3,2-c]pyridin-4-one
CID 168889984
7-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylmethyl)phenyl]-5-methyl-[1,3]oxazolo[4,5-c]pyridin-4-one
CID 153179462
7-methoxy-1-methyl-3-[5-methylsulfonyl-2-(oxan-4-ylmethoxy)phenyl]pyrrolo[2,3-c]pyridine
CID 90417026
3-[2-(2,4-difluorophenoxy)-5-[(1R)-1-ethylsulfonylethyl]phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 90416078
N-[4-(4-methoxycyclohexyl)oxy-3-(7-methoxy-1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]ethanesulfonamide
CID 90415361
4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
CID 134512110
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
4-[2-ethoxy-5-(methylsulfonylmethyl)phenyl]-6-methylfuro[2,3-c]pyridin-7-one
CID 118028287

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine (CID 90416263) is 3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine is COc1nccc2c(-c3cc(CS(C)(=O)=O)ccc3Oc3ccc(F)cc3F)cn(C)c12.
What is the InChIKey of 3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine?
The InChIKey is GSEKHFPRIAZECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O4S/c1-27-12-18(16-8-9-26-23(30-2)22(16)27)17-10-14(13-32(3,28)29)4-6-20(17)31-21-7-5-15(24)11-19(21)25/h4-12H,13H2,1-3H3.
What are the key properties of 3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine?
3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine has a molecular weight of 458.49 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 90416263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).