A1A3K

(3P)-3-(4-chloro-1H-imidazol-2-yl)-5-[(1R)-1-{[(3M)-3-(1H-pyrazol-5-yl)phenyl]oxy}ethyl]pyridine

Created:	2024-08-26
Last modified:	2024-11-27

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1 entries where A1A3K is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	22

2D diagram of A1A3K

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Chemical Component Summary
Name	(3P)-3-(4-chloro-1H-imidazol-2-yl)-5-[(1R)-1-{[(3M)-3-(1H-pyrazol-5-yl)phenyl]oxy}ethyl]pyridine
Systematic Name (OpenEye OEToolkits)	3-(4-chloranyl-1~{H}-imidazol-2-yl)-5-[(1~{R})-1-[3-(1~{H}-pyrazol-5-yl)phenoxy]ethyl]pyridine
Formula	C₁₉ H₁₆ Cl N₅ O
Molecular Weight	365.816
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Clc1nc([NH]c1)c1cc(cnc1)C(C)Oc1cccc(c1)c1ccn[NH]1
SMILES	CACTVS	3.385	C[CH](Oc1cccc(c1)c2[nH]ncc2)c3cncc(c3)c4[nH]cc(Cl)n4
SMILES	OpenEye OEToolkits	2.0.7	CC(c1cc(cnc1)c2[nH]cc(n2)Cl)Oc3cccc(c3)c4ccn[nH]4
Canonical SMILES	CACTVS	3.385	C[C@@H](Oc1cccc(c1)c2[nH]ncc2)c3cncc(c3)c4[nH]cc(Cl)n4
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](c1cc(cnc1)c2[nH]cc(n2)Cl)Oc3cccc(c3)c4ccn[nH]4
InChI	InChI	1.06	InChI=1S/C19H16ClN5O/c1-12(14-7-15(10-21-9-14)19-22-11-18(20)24-19)26-16-4-2-3-13(8-16)17-5-6-23-25-17/h2-12H,1H3,(H,22,24)(H,23,25)/t12-/m1/s1
InChIKey	InChI	1.06	FKQIJOHOBMULLA-GFCCVEGCSA-N

Related Resource References

Resource Name	Reference
PubChem	172429194

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