83G

1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione



Chemical Component Summary

Name1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
Identifiers1-(4-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-2-[(2~{R})-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]ethane-1,2-dione
FormulaC22 H22 N4 O4
Molecular Weight406.434
TypeNON-POLYMER
Isomeric SMILESC[C@@H]1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4
InChIInChI=1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1
InChIKeyOKGPFTLYBPQBIX-CQSZACIVSA-N

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count1
Bond Count55
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 5495818, 507771
ChEMBL CHEMBL337301