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Summary Geometry Related PDB entries

A1KCR

Summary

Name:	2-cyclopropyl-8-(3-methoxy-1-methyl-pyrazol-4-yl)-3-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrido[3,4-b]pyrazin-5-amine
Formula:	C22 H21 N9 O
Formal charge:	0
Formula weight:	427.462 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-cyclopropyl-8-(3-methoxy-1-methyl-pyrazol-4-yl)-3-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrido[3,4-b]pyrazin-5-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H21N9O/c1-30-10-26-17-13(6-24-8-15(17)30)19-16(11-4-5-11)27-18-12(7-25-21(23)20(18)28-19)14-9-31(2)29-22(14)32-3/h6-11H,4-5H2,1-3H3,(H2,23,25)
InChIKey	InChI	1.06	STFOSYRXLJLFQN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1nn(C)cc1c2cnc(N)c3nc(c(nc23)C4CC4)c5cncc6n(C)cnc56
SMILES	CACTVS	3.385	COc1nn(C)cc1c2cnc(N)c3nc(c(nc23)C4CC4)c5cncc6n(C)cnc56
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1cc(c(n1)OC)c2cnc(c3c2nc(c(n3)c4cncc5c4ncn5C)C6CC6)N
SMILES	OpenEye OEToolkits	2.0.7	Cn1cc(c(n1)OC)c2cnc(c3c2nc(c(n3)c4cncc5c4ncn5C)C6CC6)N

258222

PDB entries from 2026-08-19

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