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

C24H21F2N3O6S — CID 90416675

IUPAC3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c3c(OC)nc(C(=O)O)cc23)c1
InChIInChI=1S/C24H21F2N3O6S/c1-4-36(32,33)28-14-6-8-20(35-21-7-5-13(25)9-18(21)26)15(10-14)17-12-29(2)22-16(17)11-19(24(30)31)27-23(22)34-3/h5-12,28H,4H2,1-3H3,(H,30,31)
InChIKeyGNIOERCYDODOEA-UHFFFAOYSA-N
MW517.51 g/mol
LogP4.78
Rot. Bonds8

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

3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid (PubChem CID 90416675) has the molecular formula C24H21F2N3O6S and a molecular weight of 517.51 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid
PubChem CID90416675
Molecular FormulaC24H21F2N3O6S
Molecular Weight517.51 g/mol
Exact Mass517.11
IUPAC Name3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid
SMILESCCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c3c(OC)nc(C(=O)O)cc23)c1
InChIInChI=1S/C24H21F2N3O6S/c1-4-36(32,33)28-14-6-8-20(35-21-7-5-13(25)9-18(21)26)15(10-14)17-12-29(2)22-16(17)11-19(24(30)31)27-23(22)34-3/h5-12,28H,4H2,1-3H3,(H,30,31)
InChIKeyGNIOERCYDODOEA-UHFFFAOYSA-N
XLogP4.78
TPSA119.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid 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

3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 90416278
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
7-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylic acid
CID 155457492
N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxo-[1,3]oxazolo[5,4-c]pyridin-7-yl)phenyl]ethanesulfonamide
CID 118028184
N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxo-2-propan-2-yloxypyrazolo[4,3-c]pyridin-7-yl)phenyl]ethanesulfonamide
CID 134512215
N-[4-(2,4-difluorophenoxy)-3-[6-methyl-2-(3-methyl-1,2-oxazol-5-yl)-7-oxothieno[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
CID 155457764
N-[4-(2,4-difluorophenoxy)-3-[4-(furan-2-yl)-1-methyl-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 72551225
N-[3-[4-amino-1-methyl-5-(methyldiazenyl)-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide
CID 137277717
3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine
CID 90416263
N-[3-[5-amino-4-(ethyliminomethyl)-1-methyl-6-oxo-3-pyridinyl]-4-(2,4-difluorophenoxy)phenyl]ethanesulfonamide
CID 134512499
N-[4-(2,4-difluorophenoxy)-3-[2-(4,4-difluoropiperidine-1-carbonyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
CID 155457548
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxo-3-pyridinyl]phenyl]ethanesulfonamide
CID 90019424

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid (CID 90416675) is 3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid is CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c3c(OC)nc(C(=O)O)cc23)c1.
What is the InChIKey of 3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid?
The InChIKey is GNIOERCYDODOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O6S/c1-4-36(32,33)28-14-6-8-20(35-21-7-5-13(25)9-18(21)26)15(10-14)17-12-29(2)22-16(17)11-19(24(30)31)27-23(22)34-3/h5-12,28H,4H2,1-3H3,(H,30,31).
What are the key properties of 3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid?
3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 517.51 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-7-methoxy-1-methylpyrrolo[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 90416675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).