JCY

1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine

Created:	2018-08-30
Last modified:	2019-06-05

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2 entries where JCY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	0
Bond Count	65
Aromatic Bond Count	21

2D diagram of JCY

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Chemical Component Summary
Name	1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine
Systematic Name (OpenEye OEToolkits)	1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine
Formula	C₂₅ H₃₀ F N₅ O
Molecular Weight	435.537
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c4c(cc(c1)c2c(cc(cc2)F)OCCc3c(n(C)nc3C)C)c(CN(C)C)nn4C
SMILES	CACTVS	3.385	CN(C)Cc1nn(C)c2ccc(cc12)c3ccc(F)cc3OCCc4c(C)nn(C)c4C
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F
Canonical SMILES	CACTVS	3.385	CN(C)Cc1nn(C)c2ccc(cc12)c3ccc(F)cc3OCCc4c(C)nn(C)c4C
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F
InChI	InChI	1.03	InChI=1S/C25H30FN5O/c1-16-20(17(2)30(5)27-16)11-12-32-25-14-19(26)8-9-21(25)18-7-10-24-22(13-18)23(15-29(3)4)28-31(24)6/h7-10,13-14H,11-12,15H2,1-6H3
InChIKey	InChI	1.03	YEOAAQMCKFJWKF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	138393366

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