4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide

C16H16N4O4S — CID 137010796

IUPAC4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nn(CC3COC3)c3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C16H16N4O4S/c17-25(22,23)12-3-1-11(2-4-12)15-14-13(5-6-18-16(14)21)20(19-15)7-10-8-24-9-10/h1-6,10H,7-9H2,(H,18,21)(H2,17,22,23)
InChIKeyVZBUCZWHHJNOOY-UHFFFAOYSA-N
MW360.40 g/mol
LogP0.69
Rot. Bonds4

About 4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide

4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide (PubChem CID 137010796) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide
PubChem CID137010796
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nn(CC3COC3)c3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C16H16N4O4S/c17-25(22,23)12-3-1-11(2-4-12)15-14-13(5-6-18-16(14)21)20(19-15)7-10-8-24-9-10/h1-6,10H,7-9H2,(H,18,21)(H2,17,22,23)
InChIKeyVZBUCZWHHJNOOY-UHFFFAOYSA-N
XLogP0.69
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-oxo-1-[2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide
CID 137010607
ethyl 2-[[4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]sulfonyl-methylamino]-2-methylpropanoate
CID 137310314
1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137010576
3-(4-aminosulfanylphenyl)-1-(4-ethyl-4-hydroxycyclohexyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137160756
tert-butyl 1-[4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]sulfonylpyrrolidine-3-carboxylate
CID 137310247
1-(4-amino-2,6-difluorophenyl)-3-(4-sulfanylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 136949922
1-(cyclopropylmethyl)-3-[(2-fluoro-4-pyridinyl)amino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137310294
4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide
CID 142592346
4-[4-(4-chlorophenyl)-2-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)-1,3-thiazol-5-yl]benzenesulfonamide
CID 71737163
acetonitrile;1-(cyclopropylmethyl)-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 144713558
2-(cyclopropylmethyl)-5-(4-fluorophenyl)-6-(4-methylsulfonylphenyl)pyridazin-3-one
CID 18369409
1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride
CID 162122522

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide (CID 137010796) is 4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nn(CC3COC3)c3cc[nH]c(=O)c23)cc1.
What is the InChIKey of 4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide?
The InChIKey is VZBUCZWHHJNOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c17-25(22,23)12-3-1-11(2-4-12)15-14-13(5-6-18-16(14)21)20(19-15)7-10-8-24-9-10/h1-6,10H,7-9H2,(H,18,21)(H2,17,22,23).
What are the key properties of 4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide?
4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide has a molecular weight of 360.40 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 137010796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).