3Q4

(3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide


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Chemical Component Summary

Name(3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide
Identifiers(1S,3S,6R)-1-[2-azanyl-6-(3-azanyl-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenyl-piperidine-3-carboxamide
FormulaC24 H26 N8 O
Molecular Weight442.516
TypeNON-POLYMER
Isomeric SMILESC[C@@H]1CC[C@@H](C[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)C(=O)Nc5ccccc5
InChIInChI=1S/C24H26N8O/c1-14-7-8-16(23(33)27-17-5-3-2-4-6-17)13-32(14)21-12-19(28-24(26)29-21)15-9-10-18-20(11-15)30-31-22(18)25/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,27,33)(H3,25,30,31)(H2,26,28,29)/t14-,16+/m1/s1
InChIKeyTXXYVBLFLGPQOR-ZBFHGGJFSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count2
Bond Count63
Aromatic Bond Count23

Related Resource References

Resource NameReference
Pharos CHEMBL1614775
PubChem 50909915
ChEMBL CHEMBL1614775