5SL

~{N}-[(1~{S},3~{S})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine

Created: 2015-11-23
Last modified:  2016-03-02

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count2
Bond Count53
Aromatic Bond Count21
2D diagram of 5SL
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Chemical Component Summary

Name~{N}-[(1~{S},3~{S})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)~{N}-[(1~{S},3~{S})-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentyl]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC20 H21 N7 O
Molecular Weight375.427
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cc1ccc(Cc2noc(n2)[CH]3CC[CH](C3)Nc4ncnc5[nH]ncc45)cc1
SMILESOpenEye OEToolkits2.0.4Cc1ccc(cc1)Cc2nc(on2)C3CCC(C3)Nc4c5cn[nH]c5ncn4
Canonical SMILESCACTVS3.385 Cc1ccc(Cc2noc(n2)[C@H]3CC[C@@H](C3)Nc4ncnc5[nH]ncc45)cc1
Canonical SMILESOpenEye OEToolkits2.0.4 Cc1ccc(cc1)Cc2nc(on2)[C@H]3CC[C@@H](C3)Nc4c5cn[nH]c5ncn4
InChIInChI1.03 InChI=1S/C20H21N7O/c1-12-2-4-13(5-3-12)8-17-25-20(28-27-17)14-6-7-15(9-14)24-18-16-10-23-26-19(16)22-11-21-18/h2-5,10-11,14-15H,6-9H2,1H3,(H2,21,22,23,24,26)/t14-,15-/m0/s1
InChIKeyInChI1.03 JTKNIJDRSHYXLX-GJZGRUSLSA-N

Related Resource References

Resource NameReference
PubChem 11552541