Chemical Component Summary

Name4-(1,4'-bipiperidin-1'-yl)-7-({5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl}amino)-2-methyl-2,3-dihydro-1H-isoindol-1-one
Identifiers7-[[5-chloro-2-[(2-methoxyphenyl)amino]pyrimidin-4-yl]amino]-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-3H-isoindol-1-one
FormulaC30 H36 Cl N7 O2
Molecular Weight562.106
TypeNON-POLYMER
Isomeric SMILESCN1Cc2c(ccc(c2C1=O)Nc3c(cnc(n3)Nc4ccccc4OC)Cl)N5CCC(CC5)N6CCCCC6
InChIInChI=1S/C30H36ClN7O2/c1-36-19-21-25(38-16-12-20(13-17-38)37-14-6-3-7-15-37)11-10-24(27(21)29(36)39)33-28-22(31)18-32-30(35-28)34-23-8-4-5-9-26(23)40-2/h4-5,8-11,18,20H,3,6-7,12-17,19H2,1-2H3,(H2,32,33,34,35)
InChIKeyCXZCUCWQLXRDJA-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count76
Chiral Atom Count0
Bond Count81
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 24892819