3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide

C24H33N7O3S — CID 166982867

IUPAC3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C24H33N7O3S/c1-24(2,3)17-10-16(11-20(12-17)35(32,33)26-4)21-14-27-22(25)23(29-21)34-19-13-28-31(15-19)18-6-8-30(5)9-7-18/h10-15,18,26H,6-9H2,1-5H3,(H2,25,27)
InChIKeyYIEGZNKFPHRTDV-UHFFFAOYSA-N
MW499.64 g/mol
LogP3.19
Rot. Bonds6

About 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide

3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide (PubChem CID 166982867) has the molecular formula C24H33N7O3S and a molecular weight of 499.64 g/mol. Its IUPAC name is 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide
PubChem CID166982867
Molecular FormulaC24H33N7O3S
Molecular Weight499.64 g/mol
Exact Mass499.24
IUPAC Name3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C24H33N7O3S/c1-24(2,3)17-10-16(11-20(12-17)35(32,33)26-4)21-14-27-22(25)23(29-21)34-19-13-28-31(15-19)18-6-8-30(5)9-7-18/h10-15,18,26H,6-9H2,1-5H3,(H2,25,27)
InChIKeyYIEGZNKFPHRTDV-UHFFFAOYSA-N
XLogP3.19
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide
CID 166983149
3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-morpholin-4-ylbenzenesulfonamide
CID 166982905
3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-(3-methylmorpholin-4-yl)benzenesulfonamide
CID 170351582
5-[3-methoxy-5-(methylaminosulfanyl)phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
CID 166983039
5-[3-(methylamino)-5-(methylaminosulfanyl)phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
CID 166983140
1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol
CID 166982975
5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]oxypyrazin-2-amine
CID 163216435
[4-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-6-(diethylamino)-2-pyridinyl]methyl-methylcarbamic acid
CID 170351690
3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]oxan-3-ol
CID 166983071
5-[3,5-dimethyl-4-[[[2-(oxan-4-yl)-3,4-dihydropyrazol-4-yl]amino]methyl]phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
CID 166982969
3-[5-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-3-methyl-2-morpholin-4-ylphenyl]oxolan-3-ol
CID 166983073
(3R)-3-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-[(3S)-3-methylmorpholin-4-yl]phenyl]oxolan-3-ol
CID 172675470

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide?
The IUPAC name of 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide (CID 166982867) is 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)cc(C(C)(C)C)c1.
What is the InChIKey of 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide?
The InChIKey is YIEGZNKFPHRTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3S/c1-24(2,3)17-10-16(11-20(12-17)35(32,33)26-4)21-14-27-22(25)23(29-21)34-19-13-28-31(15-19)18-6-8-30(5)9-7-18/h10-15,18,26H,6-9H2,1-5H3,(H2,25,27).
What are the key properties of 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide?
3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide has a molecular weight of 499.64 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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]-5-tert-butyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 166982867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).