3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide

C16H17FN6O3S — CID 141106636

IUPAC3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)c(F)c1
InChIInChI=1S/C16H17FN6O3S/c17-13-7-11(27(18,24)25)1-2-14(13)23-15-12(8-22-23)16(21-9-20-15)26-10-3-5-19-6-4-10/h1-2,7-10,19H,3-6H2,(H2,18,24,25)
InChIKeyZDYYLMAETVSQOK-UHFFFAOYSA-N
MW392.42 g/mol
LogP0.73
Rot. Bonds4

About 3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide

3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide (PubChem CID 141106636) has the molecular formula C16H17FN6O3S and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide
PubChem CID141106636
Molecular FormulaC16H17FN6O3S
Molecular Weight392.42 g/mol
Exact Mass392.11
IUPAC Name3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)c(F)c1
InChIInChI=1S/C16H17FN6O3S/c17-13-7-11(27(18,24)25)1-2-14(13)23-15-12(8-22-23)16(21-9-20-15)26-10-3-5-19-6-4-10/h1-2,7-10,19H,3-6H2,(H2,18,24,25)
InChIKeyZDYYLMAETVSQOK-UHFFFAOYSA-N
XLogP0.73
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
CID 141106657
1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
CID 11360802
1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
CID 141280007
4-[[3-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-3-propan-2-yl-5H-1,2,4-oxadiazole
CID 69007974
1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
CID 62348088
propan-2-yl 4-[1-(2-fluoro-4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57496329
propan-2-yl 4-[1-(2-fluoro-4-propanoyl-3-sulfamoylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 174570973
butyl 4-[1-[2-(dimethylamino)-4-methylsulfonylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 150596065
5-[4-[1-(2-fluoro-4-isocyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 58735196
4-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]butan-2-one
CID 69348118
2-(2-chloro-5-fluoro-3-pyridinyl)-4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carbaldehyde
CID 87218329
[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-pyridazin-4-ylmethanone
CID 11179086

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide (CID 141106636) is 3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)c(F)c1.
What is the InChIKey of 3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide?
The InChIKey is ZDYYLMAETVSQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O3S/c17-13-7-11(27(18,24)25)1-2-14(13)23-15-12(8-22-23)16(21-9-20-15)26-10-3-5-19-6-4-10/h1-2,7-10,19H,3-6H2,(H2,18,24,25).
What are the key properties of 3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide?
3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide has a molecular weight of 392.42 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 141106636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).