6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid

C25H17N3O4S — CID 129186604

IUPAC6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc3c(c2)cc(-c2ccccc2)n3S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C25H17N3O4S/c29-25(30)22-13-7-12-21(27-22)19-14-18-15-23(17-8-3-1-4-9-17)28(24(18)26-16-19)33(31,32)20-10-5-2-6-11-20/h1-16H,(H,29,30)
InChIKeyZFAFYBXOOCJFCC-UHFFFAOYSA-N
MW455.50 g/mol
LogP4.70
Rot. Bonds5

About 6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid

6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid (PubChem CID 129186604) has the molecular formula C25H17N3O4S and a molecular weight of 455.50 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid
PubChem CID129186604
Molecular FormulaC25H17N3O4S
Molecular Weight455.50 g/mol
Exact Mass455.09
IUPAC Name6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc3c(c2)cc(-c2ccccc2)n3S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C25H17N3O4S/c29-25(30)22-13-7-12-21(27-22)19-14-18-15-23(17-8-3-1-4-9-17)28(24(18)26-16-19)33(31,32)20-10-5-2-6-11-20/h1-16H,(H,29,30)
InChIKeyZFAFYBXOOCJFCC-UHFFFAOYSA-N
XLogP4.70
TPSA102.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-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

[6-[1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]methanol
CID 129186694
1-(benzenesulfonyl)-5-iodopyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 71299156
1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine
CID 68951720
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
6-naphthalen-2-ylpyridine-2-carboxylic acid
CID 158131447
6-(2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid
CID 11638527
1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine
CID 121228705
6-[3-(2-chlorophenyl)phenyl]pyridine-2-carboxylic acid
CID 11461037
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
7-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine
CID 141396849
1-(benzenesulfonyl)-2-(furan-2-yl)-5-methylsulfanylpyrrolo[2,3-b]pyridine
CID 15486852
5-bromo-1-(4-methylphenyl)sulfonyl-2-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridine
CID 177130136

Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid (CID 129186604) is 6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cnc3c(c2)cc(-c2ccccc2)n3S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid?
The InChIKey is ZFAFYBXOOCJFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O4S/c29-25(30)22-13-7-12-21(27-22)19-14-18-15-23(17-8-3-1-4-9-17)28(24(18)26-16-19)33(31,32)20-10-5-2-6-11-20/h1-16H,(H,29,30).
What are the key properties of 6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid?
6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid has a molecular weight of 455.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(benzenesulfonyl)-2-phenylpyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 129186604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).