F8V

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


Toggle HydrogenToggle Labels

Chemical Component Summary

Name(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
Identifiers(3~{S})-~{N}-[3-(4-fluorophenyl)-1~{H}-indazol-5-yl]-3-methylsulfanyl-1-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxamide
FormulaC35 H35 F N8 O2 S
Molecular Weight650.768
TypeNON-POLYMER
Isomeric SMILESCS[C@]1(CCN(C1)CC(=O)N2CCN(CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccc(cc7)F
InChIInChI=1S/C35H35FN8O2S/c1-47-35(34(46)39-27-9-12-30-29(21-27)32(41-40-30)24-3-7-26(36)8-4-24)13-16-42(23-35)22-31(45)44-19-17-43(18-20-44)28-10-5-25(6-11-28)33-37-14-2-15-38-33/h2-12,14-15,21H,13,16-20,22-23H2,1H3,(H,39,46)(H,40,41)/t35-/m0/s1
InChIKeyMRHUCFAJTNKMCG-DHUJRADRSA-N

Chemical Details

Formal Charge0
Atom Count82
Chiral Atom Count1
Bond Count88
Aromatic Bond Count28

Related Resource References

Resource NameReference
Pharos CHEMBL4215228
PubChem 57686268
ChEMBL CHEMBL4215228