DQG

2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid



Chemical Component Summary

Name2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
Identifiers2-[(~{S})-(2-chlorophenyl)-(2-piperidin-1-ylethoxy)methyl]-1~{H}-pyrrolo[3,2-b]pyridine-7-carboxylic acid
FormulaC22 H24 Cl N3 O3
Molecular Weight413.897
TypeNON-POLYMER
Isomeric SMILESc1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl
InChIInChI=1S/C22H24ClN3O3/c23-17-7-3-2-6-15(17)21(29-13-12-26-10-4-1-5-11-26)19-14-18-20(25-19)16(22(27)28)8-9-24-18/h2-3,6-9,14,21,25H,1,4-5,10-13H2,(H,27,28)/t21-/m0/s1
InChIKeyAWPYWZMMJZGPOX-NRFANRHFSA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count1
Bond Count56
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL4096760
PubChem 132472258
ChEMBL CHEMBL4096760