HPM

N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE


Toggle HydrogenToggle Labels

Chemical Component Summary

NameN-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
IdentifiersN-[5-[[7-[(2S)-2-hydroxy-3-piperidin-1-yl-propoxy]-6-methoxy-quinazolin-4-yl]amino]pyrimidin-2-yl]benzamide
FormulaC28 H31 N7 O4
Molecular Weight529.59
TypeNON-POLYMER
Isomeric SMILESCOc1cc2c(cc1OC[C@H](CN3CCCCC3)O)ncnc2Nc4cnc(nc4)NC(=O)c5ccccc5
InChIInChI=1S/C28H31N7O4/c1-38-24-12-22-23(13-25(24)39-17-21(36)16-35-10-6-3-7-11-35)31-18-32-26(22)33-20-14-29-28(30-15-20)34-27(37)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,18,21,36H,3,6-7,10-11,16-17H2,1H3,(H,31,32,33)(H,29,30,34,37)/t21-/m0/s1
InChIKeyWHHFZOIADLFZRX-NRFANRHFSA-N

Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count1
Bond Count74
Aromatic Bond Count23

Related Resource References

Resource NameReference
Pharos CHEMBL427212
PubChem 5494424
ChEMBL CHEMBL427212