4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

C22H19N3O6S — CID 71617223

IUPAC4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc(C(=O)O)[nH]c2c1=O
InChIInChI=1S/C22H19N3O6S/c1-25-12-17(16-11-18(22(27)28)23-20(16)21(25)26)15-10-13(24-32(2,29)30)8-9-19(15)31-14-6-4-3-5-7-14/h3-12,23-24H,1-2H3,(H,27,28)
InChIKeyWUHSWYDCMKHYRT-UHFFFAOYSA-N
MW453.48 g/mol
LogP3.40
Rot. Bonds6

About 4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid

4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid (PubChem CID 71617223) has the molecular formula C22H19N3O6S and a molecular weight of 453.48 g/mol. Its IUPAC name is 4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
PubChem CID71617223
Molecular FormulaC22H19N3O6S
Molecular Weight453.48 g/mol
Exact Mass453.10
IUPAC Name4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc(C(=O)O)[nH]c2c1=O
InChIInChI=1S/C22H19N3O6S/c1-25-12-17(16-11-18(22(27)28)23-20(16)21(25)26)15-10-13(24-32(2,29)30)8-9-19(15)31-14-6-4-3-5-7-14/h3-12,23-24H,1-2H3,(H,27,28)
InChIKeyWUHSWYDCMKHYRT-UHFFFAOYSA-N
XLogP3.40
TPSA130.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 168980281
N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide
CID 90032034
N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431652
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-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431230
N-[4-(4-chlorophenoxy)-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]prop-2-enamide
CID 146525079
4-bromo-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 90351143
N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431429
N-[4-(4,4-difluorocyclohexyl)oxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
CID 71617461
4-[5-cyclopropylsulfonyl-2-(2,6-dimethylphenoxy)phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155560126
N-methyl-N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]propanamide
CID 171083432
3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide
CID 175338243

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid (CID 71617223) is 4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid is Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc(C(=O)O)[nH]c2c1=O.
What is the InChIKey of 4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is WUHSWYDCMKHYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6S/c1-25-12-17(16-11-18(22(27)28)23-20(16)21(25)26)15-10-13(24-32(2,29)30)8-9-19(15)31-14-6-4-3-5-7-14/h3-12,23-24H,1-2H3,(H,27,28).
What are the key properties of 4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid?
4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 453.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methanesulfonamido)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 71617223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).