Chemical Component Summary

Name(4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone
Identifiers[4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
FormulaC28 H29 N5 O S
Molecular Weight483.628
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6
InChIInChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)
InChIKeyBWZJBXAPRCVCKQ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count0
Bond Count69
Aromatic Bond Count22

Related Resource References

Resource NameReference
Pharos CHEMBL200027
PubChem 9549298
ChEMBL CHEMBL200027
ChEBI CHEBI:92257