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Summary

Name:	3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
Formula:	C22 H26 F2 N6
Formal charge:	0
Formula weight:	412.479 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
OpenEye OEToolkits	2.0.7	3-[4-[[2,4-bis(fluoranyl)phenyl]methyl]piperazin-1-yl]-7-methyl-~{N}-propan-2-yl-pyrido[3,4-b]pyrazin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)Nc1nc2cc(C)ncc2nc1N1CCN(Cc2ccc(F)cc2F)CC1
InChI	InChI	1.06	InChI=1S/C22H26F2N6/c1-14(2)26-21-22(28-20-12-25-15(3)10-19(20)27-21)30-8-6-29(7-9-30)13-16-4-5-17(23)11-18(16)24/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,27)
InChIKey	InChI	1.06	RWZKAEHGFIQDFV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)Nc1nc2cc(C)ncc2nc1N3CCN(CC3)Cc4ccc(F)cc4F
SMILES	CACTVS	3.385	CC(C)Nc1nc2cc(C)ncc2nc1N3CCN(CC3)Cc4ccc(F)cc4F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc2c(cn1)nc(c(n2)NC(C)C)N3CCN(CC3)Cc4ccc(cc4F)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc2c(cn1)nc(c(n2)NC(C)C)N3CCN(CC3)Cc4ccc(cc4F)F

250359

PDB entries from 2026-03-11

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