GS3

2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide


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Chemical Component Summary

Name2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
Identifiers2-fluoro-6-[[2-[[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]amino]-7H-pyrrolo[3,2-e]pyrimidin-4-yl]amino]benzamide
FormulaC27 H31 F N8 O2
Molecular Weight518.586
TypeNON-POLYMER
Isomeric SMILESCC(C)N1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5cccc(c5C(=O)N)F
InChIInChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-20(22(15-17)38-3)32-27-33-25-18(9-10-30-25)26(34-27)31-21-6-4-5-19(28)23(21)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
InChIKeyHXZDICYKFAOZLE-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count0
Bond Count73
Aromatic Bond Count22

Related Resource References

Resource NameReference
Pharos CHEMBL507625
PubChem 25113170
ChEMBL CHEMBL507625