RCSB PDB - ZSG Ligand Summary Page

ZSG

(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

Created: 2021-05-28
Last modified:  2021-09-01

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count48
Aromatic Bond Count11
2D diagram of ZSG

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Chemical Component Summary

Name(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
Systematic Name (OpenEye OEToolkits)5-(2-azanylpyrimidin-4-yl)-~{N}-[2-(dimethylamino)ethyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-2-carboxamide
FormulaC15 H22 N8 O
Molecular Weight330.388
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1
SMILESCACTVS3.385CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3
SMILESOpenEye OEToolkits2.0.7CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N
Canonical SMILESCACTVS3.385 CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3
Canonical SMILESOpenEye OEToolkits2.0.7 CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N
InChIInChI1.03 InChI=1S/C15H22N8O/c1-21(2)6-5-17-14(24)12-9-11-10-22(7-8-23(11)20-12)13-3-4-18-15(16)19-13/h3-4,9H,5-8,10H2,1-2H3,(H,17,24)(H2,16,18,19)
InChIKeyInChI1.03 SOQWCHRGAQNWSN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 56752963