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Summary Geometry Related PDB entries

A1LZJ

Summary

Name:	4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile
Formula:	C26 H23 F N6
Formal charge:	0
Formula weight:	438.499 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H23FN6/c1-16-2-4-17(5-3-16)22-23(18-6-7-19(15-28)21(27)14-18)32-26(25-24(22)30-10-11-31-25)33-12-8-20(29)9-13-33/h2-7,10-11,14,20H,8-9,12-13,29H2,1H3
InChIKey	InChI	1.06	BISBXLFNGMDQKO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(cc1)c2c(nc(N3CCC(N)CC3)c4nccnc24)c5ccc(C#N)c(F)c5
SMILES	CACTVS	3.385	Cc1ccc(cc1)c2c(nc(N3CCC(N)CC3)c4nccnc24)c5ccc(C#N)c(F)c5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)c2c3c(c(nc2c4ccc(c(c4)F)C#N)N5CCC(CC5)N)nccn3
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)c2c3c(c(nc2c4ccc(c(c4)F)C#N)N5CCC(CC5)N)nccn3

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PDB entries from 2026-02-04

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