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

C23H31N7O4S — CID 166983149

IUPAC3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OC(C)C)cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)c1
InChIInChI=1S/C23H31N7O4S/c1-15(2)33-18-9-16(10-20(11-18)35(31,32)25-3)21-13-26-22(24)23(28-21)34-19-12-27-30(14-19)17-5-7-29(4)8-6-17/h9-15,17,25H,5-8H2,1-4H3,(H2,24,26)
InChIKeyVKJHTEPBDRDKIL-UHFFFAOYSA-N
MW501.61 g/mol
LogP2.68
Rot. Bonds8

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

3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide (PubChem CID 166983149) has the molecular formula C23H31N7O4S and a molecular weight of 501.61 g/mol. Its IUPAC name is 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide
PubChem CID166983149
Molecular FormulaC23H31N7O4S
Molecular Weight501.61 g/mol
Exact Mass501.22
IUPAC Name3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OC(C)C)cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)c1
InChIInChI=1S/C23H31N7O4S/c1-15(2)33-18-9-16(10-20(11-18)35(31,32)25-3)21-13-26-22(24)23(28-21)34-19-12-27-30(14-19)17-5-7-29(4)8-6-17/h9-15,17,25H,5-8H2,1-4H3,(H2,24,26)
InChIKeyVKJHTEPBDRDKIL-UHFFFAOYSA-N
XLogP2.68
TPSA137.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.61
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-tert-butyl-N-methylbenzenesulfonamide
CID 166982867
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
1-[3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-5-methylphenyl]ethanol
CID 166982975
5-[3-(methylamino)-5-(methylaminosulfanyl)phenyl]-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-amine
CID 166983140
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]-N-methyl-5-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide (CID 166983149) is 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide is CNS(=O)(=O)c1cc(OC(C)C)cc(-c2cnc(N)c(Oc3cnn(C4CCN(C)CC4)c3)n2)c1.
What is the InChIKey of 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide?
The InChIKey is VKJHTEPBDRDKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O4S/c1-15(2)33-18-9-16(10-20(11-18)35(31,32)25-3)21-13-26-22(24)23(28-21)34-19-12-27-30(14-19)17-5-7-29(4)8-6-17/h9-15,17,25H,5-8H2,1-4H3,(H2,24,26).
What are the key properties of 3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide?
3-[5-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]oxypyrazin-2-yl]-N-methyl-5-propan-2-yloxybenzenesulfonamide has a molecular weight of 501.61 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 10 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-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 166983149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).