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Summary Geometry Related PDB entries

QDZ

Summary

Name:	~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
Formula:	C21 H21 N7
Formal charge:	0
Formula weight:	371.438 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N},~{N}-dimethyl-1-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C21H21N7/c1-26(2)12-14-11-23-28(13-14)18-7-9-22-21-19(18)24-20(25-21)16-5-4-6-17-15(16)8-10-27(17)3/h4-11,13H,12H2,1-3H3,(H,22,24,25)
InChIKey	InChI	1.03	TVDTXKARIOKJSV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)Cc1cnn(c1)c2ccnc3[nH]c(nc23)c4cccc5n(C)ccc45
SMILES	CACTVS	3.385	CN(C)Cc1cnn(c1)c2ccnc3[nH]c(nc23)c4cccc5n(C)ccc45
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)CN(C)C
SMILES	OpenEye OEToolkits	2.0.7	Cn1ccc2c1cccc2c3[nH]c4c(n3)c(ccn4)n5cc(cn5)CN(C)C

250835

PDB entries from 2026-03-18

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