ZH5

1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine

Created:2023-06-23
Last modified:  2023-10-11

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count47
Aromatic Bond Count16
2D diagram of ZH5

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Chemical Component Summary

Name1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine
Systematic Name (OpenEye OEToolkits)1-[3-(2-chlorophenyl)sulfanyl-1~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-piperidin-4-amine
FormulaC17 H19 Cl N6 S
Molecular Weight374.891
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC1(N)CCN(CC1)c1nc2[NH]nc(Sc3ccccc3Cl)c2nc1
SMILESCACTVS3.385CC1(N)CCN(CC1)c2cnc3c([nH]nc3Sc4ccccc4Cl)n2
SMILESOpenEye OEToolkits2.0.7CC1(CCN(CC1)c2cnc3c(n2)[nH]nc3Sc4ccccc4Cl)N
Canonical SMILESCACTVS3.385 CC1(N)CCN(CC1)c2cnc3c([nH]nc3Sc4ccccc4Cl)n2
Canonical SMILESOpenEye OEToolkits2.0.7 CC1(CCN(CC1)c2cnc3c(n2)[nH]nc3Sc4ccccc4Cl)N
InChIInChI1.06 InChI=1S/C17H19ClN6S/c1-17(19)6-8-24(9-7-17)13-10-20-14-15(21-13)22-23-16(14)25-12-5-3-2-4-11(12)18/h2-5,10H,6-9,19H2,1H3,(H,21,22,23)
InChIKeyInChI1.06 UVMSWNKXHCSARG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 134473735