A1H3U

1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol

Created:	2024-02-06
Last modified:	2024-03-20

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1 entries where A1H3U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	17

2D diagram of A1H3U

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Chemical Component Summary
Name	1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol
Systematic Name (OpenEye OEToolkits)	1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol
Formula	C₁₉ H₂₁ N₅ O₂
Molecular Weight	351.402
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC1CCN(CC1)Cc2ccc(Oc3ccc(cn3)c4[nH]ncc4)cn2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ncc1c2ccn[nH]2)Oc3ccc(nc3)CN4CCC(CC4)O
Canonical SMILES	CACTVS	3.385	OC1CCN(CC1)Cc2ccc(Oc3ccc(cn3)c4[nH]ncc4)cn2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ncc1c2ccn[nH]2)Oc3ccc(nc3)CN4CCC(CC4)O
InChI	InChI	1.06	InChI=1S/C19H21N5O2/c25-16-6-9-24(10-7-16)13-15-2-3-17(12-20-15)26-19-4-1-14(11-21-19)18-5-8-22-23-18/h1-5,8,11-12,16,25H,6-7,9-10,13H2,(H,22,23)
InChIKey	InChI	1.06	UZAUVYWHEDBLBM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	170995121

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