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Summary Geometry Related PDB entries

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Summary

Name:	(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone
Formula:	C12 H14 N4 O3
Formal charge:	0
Formula weight:	262.265 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone
OpenEye OEToolkits	2.0.7	[(2~{R})-2-methylmorpholin-4-yl]-(2-oxidanyl-3~{H}-imidazo[4,5-b]pyridin-7-yl)methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC1CN(CCO1)C(=O)c1ccnc2[NH]c(O)nc21
InChI	InChI	1.06	InChI=1S/C12H14N4O3/c1-7-6-16(4-5-19-7)11(17)8-2-3-13-10-9(8)14-12(18)15-10/h2-3,7H,4-6H2,1H3,(H2,13,14,15,18)/t7-/m1/s1
InChIKey	InChI	1.06	HZXBKRVXTGQUNC-SSDOTTSWSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H]1CN(CCO1)C(=O)c2ccnc3[nH]c(O)nc23
SMILES	CACTVS	3.385	C[CH]1CN(CCO1)C(=O)c2ccnc3[nH]c(O)nc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@@H]1CN(CCO1)C(=O)c2ccnc3c2nc([nH]3)O
SMILES	OpenEye OEToolkits	2.0.7	CC1CN(CCO1)C(=O)c2ccnc3c2nc([nH]3)O

248636

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