38Z

(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide



Chemical Component Summary

Name(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
Identifiers(3R)-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-2H-indazol-5-yl)pyrrolidine-3-carboxamide
FormulaC33 H33 N9 O2
Molecular Weight587.674
TypeNON-POLYMER
Isomeric SMILESc1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7
InChIInChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
InChIKeyHDAJDNHIBCDLQF-RUZDIDTESA-N

Chemical Details

Formal Charge0
Atom Count77
Chiral Atom Count1
Bond Count83
Aromatic Bond Count28

Related Resource References

Resource NameReference
Pharos CHEMBL3590107
PubChem 24866313
ChEMBL CHEMBL3590107