5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide

C21H26FN7O3S — CID 166983045

IUPAC5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(F)c1C
InChIInChI=1S/C21H26FN7O3S/c1-13-17(22)8-14(9-19(13)33(30,31)24-2)18-11-25-20(23)21(27-18)32-16-10-26-29(12-16)15-4-6-28(3)7-5-15/h8-12,15,24H,4-7H2,1-3H3,(H2,23,25)
InChIKeyCHKCBQDRFQWNSZ-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.34
Rot. Bonds6

About 5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide

5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide (PubChem CID 166983045) has the molecular formula C21H26FN7O3S and a molecular weight of 475.55 g/mol. Its IUPAC name is 5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide
PubChem CID166983045
Molecular FormulaC21H26FN7O3S
Molecular Weight475.55 g/mol
Exact Mass475.18
IUPAC Name5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(F)c1C
InChIInChI=1S/C21H26FN7O3S/c1-13-17(22)8-14(9-19(13)33(30,31)24-2)18-11-25-20(23)21(27-18)32-16-10-26-29(12-16)15-4-6-28(3)7-5-15/h8-12,15,24H,4-7H2,1-3H3,(H2,23,25)
InChIKeyCHKCBQDRFQWNSZ-UHFFFAOYSA-N
XLogP2.34
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide (CID 166983045) is 5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(F)c1C.
What is the InChIKey of 5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide?
The InChIKey is CHKCBQDRFQWNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN7O3S/c1-13-17(22)8-14(9-19(13)33(30,31)24-2)18-11-25-20(23)21(27-18)32-16-10-26-29(12-16)15-4-6-28(3)7-5-15/h8-12,15,24H,4-7H2,1-3H3,(H2,23,25).
What are the key properties of 5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide?
5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide has a molecular weight of 475.55 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-fluoro-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 166983045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).