3Q3

(2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide


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Chemical Component Summary

Name(2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide
Identifiers(2S,4R)-4-[2-azanyl-6-(3-azanyl-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenyl-morpholine-2-carboxamide
FormulaC22 H22 N8 O2
Molecular Weight430.462
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)NC(=O)[C@@H]2C[N@@](CCO2)c3cc(nc(n3)N)c4ccc5c(c4)n[nH]c5N
InChIInChI=1S/C22H22N8O2/c23-20-15-7-6-13(10-17(15)28-29-20)16-11-19(27-22(24)26-16)30-8-9-32-18(12-30)21(31)25-14-4-2-1-3-5-14/h1-7,10-11,18H,8-9,12H2,(H,25,31)(H3,23,28,29)(H2,24,26,27)/t18-/m0/s1
InChIKeyNCSQDKMOKNQGSG-SFHVURJKSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count1
Bond Count58
Aromatic Bond Count23

Related Resource References

Resource NameReference
Pharos CHEMBL1614774
PubChem 50909914
ChEMBL CHEMBL1614774