3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide

C24H32N8O4S — CID 166982905

IUPAC3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(N2CCOCC2)c1
InChIInChI=1S/C24H32N8O4S/c1-26-37(33,34)21-12-17(11-19(13-21)31-7-9-35-10-8-31)22-15-27-23(25)24(29-22)36-20-14-28-32(16-20)18-3-5-30(2)6-4-18/h11-16,18,26H,3-10H2,1-2H3,(H2,25,27)
InChIKeyJNDAUIYKGFPPRJ-UHFFFAOYSA-N
MW528.64 g/mol
LogP1.73
Rot. Bonds7

About 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide

3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide (PubChem CID 166982905) has the molecular formula C24H32N8O4S and a molecular weight of 528.64 g/mol. Its IUPAC name is 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide
PubChem CID166982905
Molecular FormulaC24H32N8O4S
Molecular Weight528.64 g/mol
Exact Mass528.23
IUPAC Name3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(N2CCOCC2)c1
InChIInChI=1S/C24H32N8O4S/c1-26-37(33,34)21-12-17(11-19(13-21)31-7-9-35-10-8-31)22-15-27-23(25)24(29-22)36-20-14-28-32(16-20)18-3-5-30(2)6-4-18/h11-16,18,26H,3-10H2,1-2H3,(H2,25,27)
InChIKeyJNDAUIYKGFPPRJ-UHFFFAOYSA-N
XLogP1.73
TPSA140.73 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide (CID 166982905) is 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide is CNS(=O)(=O)c1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(N2CCOCC2)c1.
What is the InChIKey of 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide?
The InChIKey is JNDAUIYKGFPPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O4S/c1-26-37(33,34)21-12-17(11-19(13-21)31-7-9-35-10-8-31)22-15-27-23(25)24(29-22)36-20-14-28-32(16-20)18-3-5-30(2)6-4-18/h11-16,18,26H,3-10H2,1-2H3,(H2,25,27).
What are the key properties of 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide?
3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide has a molecular weight of 528.64 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 166982905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).