A1IER

(~{R})-(7-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol

Created:	2024-06-14
Last modified:	2025-04-23

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1 entries where A1IER 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	21

2D diagram of A1IER

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Chemical Component Summary
Name	(~{R})-(7-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol
Systematic Name (OpenEye OEToolkits)	(~{R})-(7-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol
Formula	C₁₆ H₁₂ Cl N₅ O
Molecular Weight	325.752
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH](c1cn(nn1)c2ccccc2)c3cc(Cl)cc4cncn34
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)n2cc(nn2)C(c3cc(cc4n3cnc4)Cl)O
Canonical SMILES	CACTVS	3.385	O[C@@H](c1cn(nn1)c2ccccc2)c3cc(Cl)cc4cncn34
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)n2cc(nn2)[C@@H](c3cc(cc4n3cnc4)Cl)O
InChI	InChI	1.06	InChI=1S/C16H12ClN5O/c17-11-6-13-8-18-10-21(13)15(7-11)16(23)14-9-22(20-19-14)12-4-2-1-3-5-12/h1-10,16,23H
InChIKey	InChI	1.06	HLZKZNRPDYOLBZ-UHFFFAOYSA-N

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.