L5Y

2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol

Created:	2013-10-18
Last modified:	2014-06-18

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1 entries where L5Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	16

2D diagram of L5Y

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Chemical Component Summary
Name	2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol
Systematic Name (OpenEye OEToolkits)	2-[[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino]ethanol
Formula	C₁₄ H₁₂ F₃ N₅ O
Molecular Weight	323.273
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c3nc(c2nnc1cnccc12)cc(NCCO)c3
SMILES	CACTVS	3.385	OCCNc1cc(nc(c1)C(F)(F)F)c2n[nH]c3cnccc23
SMILES	OpenEye OEToolkits	1.7.6	c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NCCO
Canonical SMILES	CACTVS	3.385	OCCNc1cc(nc(c1)C(F)(F)F)c2n[nH]c3cnccc23
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NCCO
InChI	InChI	1.03	InChI=1S/C14H12F3N5O/c15-14(16,17)12-6-8(19-3-4-23)5-10(20-12)13-9-1-2-18-7-11(9)21-22-13/h1-2,5-7,23H,3-4H2,(H,19,20)(H,21,22)
InChIKey	InChI	1.03	CNTAIQDCYAEVFL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	72724831
ChEMBL	CHEMBL3099714

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