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Summary Geometry Related PDB entries

A1A5V

Summary

Name:	(4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine
Synonyms:	AUR-3418
Formula:	C19 H27 N7 O
Formal charge:	0
Formula weight:	369.464 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine
OpenEye OEToolkits	2.0.7	~{N}-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[1,2-b]pyrazol-6-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	COC1CCN(CC1)c1nccc(Nc2cc3n(c(C)cn3n2)C(C)C)n1
InChI	InChI	1.06	InChI=1S/C19H27N7O/c1-13(2)26-14(3)12-25-18(26)11-17(23-25)21-16-5-8-20-19(22-16)24-9-6-15(27-4)7-10-24/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,20,21,22,23)
InChIKey	InChI	1.06	ZZKCZHHGEXPUGC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COC1CCN(CC1)c2nccc(Nc3cc4n(cc(C)n4C(C)C)n3)n2
SMILES	CACTVS	3.385	COC1CCN(CC1)c2nccc(Nc3cc4n(cc(C)n4C(C)C)n3)n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cn2c(n1C(C)C)cc(n2)Nc3ccnc(n3)N4CCC(CC4)OC
SMILES	OpenEye OEToolkits	2.0.7	Cc1cn2c(n1C(C)C)cc(n2)Nc3ccnc(n3)N4CCC(CC4)OC

248335

PDB entries from 2026-01-28

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