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4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide


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Chemical Component Summary

Name4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide
Identifiers4-[[5-chloranyl-4-(4-methyl-4-oxidanyl-cyclohexyl)oxy-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-~{N},~{N}-dimethyl-3-[(2~{R})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-benzamide
FormulaC25 H29 Cl F3 N5 O4
Molecular Weight555.977
TypeNON-POLYMER
Isomeric SMILESC[C@H](C(F)(F)F)Oc1cc(ccc1Nc2nc3c(c(c[nH]3)Cl)c(n2)OC4CCC(CC4)(C)O)C(=O)N(C)C
InChIInChI=1S/C25H29ClF3N5O4/c1-13(25(27,28)29)37-18-11-14(22(35)34(3)4)5-6-17(18)31-23-32-20-19(16(26)12-30-20)21(33-23)38-15-7-9-24(2,36)10-8-15/h5-6,11-13,15,36H,7-10H2,1-4H3,(H2,30,31,32,33)/t13-,15-,24+/m1/s1
InChIKeyIUWWRSQCDUQDEZ-CAQPCFEESA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count1
Bond Count70
Aromatic Bond Count16