N42

N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide


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Chemical Component Summary

NameN-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide
Identifiers4-~{tert}-butyl-~{N}-[2-methyl-3-[1-methyl-5-[[4-morpholin-4-ylcarbonyl-3-(prop-2-enoylamino)phenyl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]benzamide
FormulaC38 H41 N5 O5
Molecular Weight647.763
TypeNON-POLYMER
Isomeric SMILESCc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=C3)Nc4ccc(c(c4)NC(=O)C=C)C(=O)N5CCOCC5)C
InChIInChI=1S/C38H41N5O5/c1-7-34(44)40-32-22-28(15-16-30(32)36(46)43-17-19-48-20-18-43)39-33-21-26(23-42(6)37(33)47)29-9-8-10-31(24(29)2)41-35(45)25-11-13-27(14-12-25)38(3,4)5/h7-16,21-23,39H,1,17-20H2,2-6H3,(H,40,44)(H,41,45)
InChIKeyUBXBHXGYYBYXOB-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count89
Chiral Atom Count0
Bond Count93
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL4077123
PubChem 129896681
ChEMBL CHEMBL4077123