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

C22H19N3O3S — CID 139886659

IUPAC4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
SMILESC=CCOc1ccc(-c2nn3ccccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H19N3O3S/c1-2-15-28-18-10-6-17(7-11-18)22-21(20-5-3-4-14-25(20)24-22)16-8-12-19(13-9-16)29(23,26)27/h2-14H,1,15H2,(H2,23,26,27)
InChIKeyLCGFRXPRONSOJS-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.88
Rot. Bonds6

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

4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide (PubChem CID 139886659) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
PubChem CID139886659
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
SMILESC=CCOc1ccc(-c2nn3ccccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H19N3O3S/c1-2-15-28-18-10-6-17(7-11-18)22-21(20-5-3-4-14-25(20)24-22)16-8-12-19(13-9-16)29(23,26)27/h2-14H,1,15H2,(H2,23,26,27)
InChIKeyLCGFRXPRONSOJS-UHFFFAOYSA-N
XLogP3.88
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886752
N-methyl-N-[4-[3-(4-sulfamoylphenyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
CID 139886729
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
N,N-bis[(4-methoxyphenyl)methyl]-4-[2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
CID 139886871
2-(5-methyl-2-pyridinyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyridine
CID 139886821
3-phenyl-2-(3-phenylphenyl)pyrazolo[1,5-a]pyridine
CID 133080686
3-prop-2-enoxybenzenesulfonamide
CID 71302797
4-[5-cyano-4-(4-methylphenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
CID 54126878
5-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyridin-2-one
CID 11449070
4-[(E)-3-chloroprop-2-enoxy]benzenesulfonamide
CID 81435717

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide (CID 139886659) is 4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide is C=CCOc1ccc(-c2nn3ccccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The InChIKey is LCGFRXPRONSOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-2-15-28-18-10-6-17(7-11-18)22-21(20-5-3-4-14-25(20)24-22)16-8-12-19(13-9-16)29(23,26)27/h2-14H,1,15H2,(H2,23,26,27).
What are the key properties of 4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 139886659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).