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

C20H16FN3O3S — CID 139886658

IUPAC4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nn3ccccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C20H16FN3O3S/c1-27-18-10-7-14(12-16(18)21)20-19(17-4-2-3-11-24(17)23-20)13-5-8-15(9-6-13)28(22,25)26/h2-12H,1H3,(H2,22,25,26)
InChIKeyYHPOACIBFOQEPH-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.46
Rot. Bonds4

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

4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide (PubChem CID 139886658) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
PubChem CID139886658
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC Name4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nn3ccccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C20H16FN3O3S/c1-27-18-10-7-14(12-16(18)21)20-19(17-4-2-3-11-24(17)23-20)13-5-8-15(9-6-13)28(22,25)26/h2-12H,1H3,(H2,22,25,26)
InChIKeyYHPOACIBFOQEPH-UHFFFAOYSA-N
XLogP3.46
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide (CID 139886658) is 4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide is COc1ccc(-c2nn3ccccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1F.
What is the InChIKey of 4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
The InChIKey is YHPOACIBFOQEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-27-18-10-7-14(12-16(18)21)20-19(17-4-2-3-11-24(17)23-20)13-5-8-15(9-6-13)28(22,25)26/h2-12H,1H3,(H2,22,25,26).
What are the key properties of 4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide?
4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide has a molecular weight of 397.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 139886658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).