WX7

5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one

Created:	2020-11-17
Last modified:	2022-07-13

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1 entries where WX7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	10

2D diagram of WX7

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Chemical Component Summary
Name	5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one
Systematic Name (OpenEye OEToolkits)	5-[(3~{R})-1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-3~{H}-1,3,4-oxadiazol-2-one
Formula	C₁₃ H₁₄ N₆ O₂
Molecular Weight	286.289
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C4N(c2c1c(ncc1)ncn2)CC(C3=NNC(O3)=O)CC4
SMILES	CACTVS	3.385	O=C1NN=C(O1)[CH]2CCCN(C2)c3ncnc4[nH]ccc34
SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1c(ncn2)N3CCCC(C3)C4=NNC(=O)O4
Canonical SMILES	CACTVS	3.385	O=C1NN=C(O1)[C@@H]2CCCN(C2)c3ncnc4[nH]ccc34
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)C4=NNC(=O)O4
InChI	InChI	1.03	InChI=1S/C13H14N6O2/c20-13-18-17-12(21-13)8-2-1-5-19(6-8)11-9-3-4-14-10(9)15-7-16-11/h3-4,7-8H,1-2,5-6H2,(H,18,20)(H,14,15,16)/t8-/m1/s1
InChIKey	InChI	1.03	FSJZPCQWTVULBE-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	164513198

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.