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Summary Geometry Related PDB entries

X5N

Summary

Name:	(6P)-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-4-(piperidin-4-yl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
Formula:	C19 H19 N5 O2
Formal charge:	0
Formula weight:	349.386 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6P)-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-4-(piperidin-4-yl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
OpenEye OEToolkits	2.0.7	6-imidazo[1,2-a]pyridin-3-yl-4-piperidin-4-yl-pyrido[3,2-b][1,4]oxazin-3-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1COc2ccc(nc2N1C1CCNCC1)c1cnc2ccccn21
InChI	InChI	1.06	InChI=1S/C19H19N5O2/c25-18-12-26-16-5-4-14(15-11-21-17-3-1-2-10-23(15)17)22-19(16)24(18)13-6-8-20-9-7-13/h1-5,10-11,13,20H,6-9,12H2
InChIKey	InChI	1.06	SQOLXUGRJNPDOA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C1COc2ccc(nc2N1C3CCNCC3)c4cnc5ccccn45
SMILES	CACTVS	3.385	O=C1COc2ccc(nc2N1C3CCNCC3)c4cnc5ccccn45
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccn2c(c1)ncc2c3ccc4c(n3)N(C(=O)CO4)C5CCNCC5
SMILES	OpenEye OEToolkits	2.0.7	c1ccn2c(c1)ncc2c3ccc4c(n3)N(C(=O)CO4)C5CCNCC5

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