WX4

{1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol

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

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1 entries where WX4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	42
Aromatic Bond Count	15

2D diagram of WX4

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Chemical Component Summary
Name	{1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol
Systematic Name (OpenEye OEToolkits)	[1-[(3~{R})-1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,2,3-triazol-4-yl]methanol
Formula	C₁₄ H₁₇ N₇ O
Molecular Weight	299.331
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C3CN(c2c1ccnc1ncn2)CC(C3)n4cc(CO)nn4
SMILES	CACTVS	3.385	OCc1cn(nn1)[CH]2CCCN(C2)c3ncnc4[nH]ccc34
SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1c(ncn2)N3CCCC(C3)n4cc(nn4)CO
Canonical SMILES	CACTVS	3.385	OCc1cn(nn1)[C@@H]2CCCN(C2)c3ncnc4[nH]ccc34
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)n4cc(nn4)CO
InChI	InChI	1.03	InChI=1S/C14H17N7O/c22-8-10-6-21(19-18-10)11-2-1-5-20(7-11)14-12-3-4-15-13(12)16-9-17-14/h3-4,6,9,11,22H,1-2,5,7-8H2,(H,15,16,17)/t11-/m1/s1
InChIKey	InChI	1.03	ASNUGOSBOWLSJV-LLVKDONJSA-N

Related Resource References

Resource Name	Reference
PubChem	164513196

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