XOQ

1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine

Created:	2022-12-03
Last modified:	2023-10-18

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1 entries where XOQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	0
Bond Count	61
Aromatic Bond Count	17

2D diagram of XOQ

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Chemical Component Summary
Name	1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine
Systematic Name (OpenEye OEToolkits)	1-[3-[3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]pyridin-2-yl]phenyl]piperazine
Formula	C₂₃ H₂₉ N₅ O
Molecular Weight	391.509
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1nn(C)c(C)c1CCOc1cccnc1c1cccc(c1)N1CCNCC1
SMILES	CACTVS	3.385	Cn1nc(C)c(CCOc2cccnc2c3cccc(c3)N4CCNCC4)c1C
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(n(n1)C)C)CCOc2cccnc2c3cccc(c3)N4CCNCC4
Canonical SMILES	CACTVS	3.385	Cn1nc(C)c(CCOc2cccnc2c3cccc(c3)N4CCNCC4)c1C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(n(n1)C)C)CCOc2cccnc2c3cccc(c3)N4CCNCC4
InChI	InChI	1.06	InChI=1S/C23H29N5O/c1-17-21(18(2)27(3)26-17)9-15-29-22-8-5-10-25-23(22)19-6-4-7-20(16-19)28-13-11-24-12-14-28/h4-8,10,16,24H,9,11-15H2,1-3H3
InChIKey	InChI	1.06	HIQVQPNQADMTSU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168665406

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