4K0

4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile


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Chemical Component Summary

Name4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile
Identifiers4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile
FormulaC19 H12 N8
Molecular Weight352.352
TypeNON-POLYMER
Isomeric SMILESc1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N
InChIInChI=1S/C19H12N8/c20-9-12-3-5-13(6-4-12)16-11-23-19-25-24-17(27(19)26-16)8-14-10-22-18-15(14)2-1-7-21-18/h1-7,10-11H,8H2,(H,21,22)
InChIKeyJJWKCZCBEYPJAJ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count43
Aromatic Bond Count26

Related Resource References

Resource NameReference
Pharos CHEMBL2170968
PubChem 70677398
ChEMBL CHEMBL2170968