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Summary Geometry Related PDB entries

KCI

Summary

Name:	5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine
Formula:	C23 H24 N6
Formal charge:	0
Formula weight:	384.477 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H24N6/c1-17(18-7-8-22(25-14-18)28-9-4-5-10-28)27-20-12-19(13-24-15-20)21-16-26-23-6-2-3-11-29(21)23/h2-3,6-8,11-17,27H,4-5,9-10H2,1H3/t17-/m1/s1
InChIKey	InChI	1.06	XVRRLWMWIRHFPC-QGZVFWFLSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](Nc1cncc(c1)c2cnc3ccccn23)c4ccc(nc4)N5CCCC5
SMILES	CACTVS	3.385	C[CH](Nc1cncc(c1)c2cnc3ccccn23)c4ccc(nc4)N5CCCC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H](c1ccc(nc1)N2CCCC2)Nc3cc(cnc3)c4cnc5n4cccc5
SMILES	OpenEye OEToolkits	2.0.7	CC(c1ccc(nc1)N2CCCC2)Nc3cc(cnc3)c4cnc5n4cccc5

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