4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide

C18H16N4O2S — CID 139886752

IUPAC4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
SMILESCn1ccc(-c2nn3ccccc3c2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H16N4O2S/c1-21-11-9-14(12-21)18-17(16-4-2-3-10-22(16)20-18)13-5-7-15(8-6-13)25(19,23)24/h2-12H,1H3,(H2,19,23,24)
InChIKeyFDGUYSYDQXZKKJ-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.65
Rot. Bonds3

About 4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide

4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide (PubChem CID 139886752) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
PubChem CID139886752
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
SMILESCn1ccc(-c2nn3ccccc3c2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H16N4O2S/c1-21-11-9-14(12-21)18-17(16-4-2-3-10-22(16)20-18)13-5-7-15(8-6-13)25(19,23)24/h2-12H,1H3,(H2,19,23,24)
InChIKeyFDGUYSYDQXZKKJ-UHFFFAOYSA-N
XLogP2.65
TPSA82.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886659
N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
CID 139886729
N,N-dimethyl-4-[3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridin-2-yl]aniline
CID 139886857
4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol
CID 139886664
3-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyridine
CID 18342925
3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine
CID 139886808
2-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
CID 139886821
3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]-2-(1-tritylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 139886905
3-phenyl-2-(3-phenylphenyl)pyrazolo[1,5-a]pyridine
CID 133080686
5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyridin-2-one
CID 11449070
3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carbonitrile
CID 139886716
[3-(4-methylsulfonylphenyl)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]methanol
CID 139886938

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide (CID 139886752) is 4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide is Cn1ccc(-c2nn3ccccc3c2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The InChIKey is FDGUYSYDQXZKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-21-11-9-14(12-21)18-17(16-4-2-3-10-22(16)20-18)13-5-7-15(8-6-13)25(19,23)24/h2-12H,1H3,(H2,19,23,24).
What are the key properties of 4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide has a molecular weight of 352.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 139886752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).