REB

[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile


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Chemical Component Summary

Name[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
Identifiers2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanenitrile
FormulaC18 H17 N7
Molecular Weight331.374
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc([nH]n3)C4CC4
InChIInChI=1S/C18H17N7/c19-9-7-12-1-5-14(6-2-12)21-18-20-10-8-16(23-18)22-17-11-15(24-25-17)13-3-4-13/h1-2,5-6,8,10-11,13H,3-4,7H2,(H3,20,21,22,23,24,25)
InChIKeyYRRRHSNOXWKVDL-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count45
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 45111332