Y8H

2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one


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Chemical Component Summary

Name2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one
Identifiers2-[[3,5-bis(chloranyl)phenyl]amino]-1-[(3~{R})-3-[methyl(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl]ethanone
FormulaC21 H24 Cl2 N6 O
Molecular Weight447.361
TypeNON-POLYMER
Isomeric SMILESCN(c1c2cc[nH]c2ncn1)[C@@H]3CCCCN(C3)C(=O)CNc4cc(cc(c4)Cl)Cl
InChIInChI=1S/C21H24Cl2N6O/c1-28(21-18-5-6-24-20(18)26-13-27-21)17-4-2-3-7-29(12-17)19(30)11-25-16-9-14(22)8-15(23)10-16/h5-6,8-10,13,17,25H,2-4,7,11-12H2,1H3,(H,24,26,27)/t17-/m1/s1
InChIKeyOGVYBLOWEVEGIK-QGZVFWFLSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count1
Bond Count57
Aromatic Bond Count16