0JQ

2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol

Created:	2012-01-26
Last modified:	2012-01-26

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1 entries where 0JQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	0
Bond Count	64
Aromatic Bond Count	17

2D diagram of 0JQ

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Chemical Component Summary
Name	2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol
Systematic Name (OpenEye OEToolkits)	2-[1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-pyridin-2-yl]piperidin-4-yl]propan-2-ol
Formula	C₂₄ H₃₀ N₄ O₃
Molecular Weight	422.52
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n3cc(c1c2cc(OC)c(OC)cc2nnc1)cc(c3N4CCC(CC4)C(O)(C)C)C
SMILES	CACTVS	3.370	COc1cc2nncc(c3cnc(N4CCC(CC4)C(C)(C)O)c(C)c3)c2cc1OC
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC
Canonical SMILES	CACTVS	3.370	COc1cc2nncc(c3cnc(N4CCC(CC4)C(C)(C)O)c(C)c3)c2cc1OC
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC
InChI	InChI	1.03	InChI=1S/C24H30N4O3/c1-15-10-16(13-25-23(15)28-8-6-17(7-9-28)24(2,3)29)19-14-26-27-20-12-22(31-5)21(30-4)11-18(19)20/h10-14,17,29H,6-9H2,1-5H3
InChIKey	InChI	1.03	PPAWFHDEPAUENY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1956250
PubChem	25196602
ChEMBL	CHEMBL1956250

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