1AM

2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide


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Chemical Component Summary

Name2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
Identifiers2-(5-methoxy-3-oxidanylidene-1H-isoindol-2-yl)-N-(4-piperazin-1-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide
FormulaC22 H22 N6 O3 S
Molecular Weight450.513
TypeNON-POLYMER
Isomeric SMILESCOc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5
InChIInChI=1S/C22H22N6O3S/c1-31-15-3-2-14-12-28(21(30)16(14)10-15)22-26-18(13-32-22)20(29)25-17-11-24-5-4-19(17)27-8-6-23-7-9-27/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,25,29)
InChIKeyKLJVDMAOKMSBQX-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count58
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL2381116
PubChem 24951610
ChEMBL CHEMBL2381116
ChEBI CHEBI:90627