English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1JVQ

Summary

Name:	6-(1-methylpyrazol-4-yl)-4-[4-[5-(phenylmethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazine
Formula:	C25 H25 N9
Formal charge:	0
Formula weight:	451.526 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	6-(1-methylpyrazol-4-yl)-4-[4-[5-(phenylmethyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C25H25N9/c1-31-16-22(15-29-31)21-12-23-24(28-18-30-34(23)17-21)32-7-9-33(10-8-32)25-26-13-20(14-27-25)11-19-5-3-2-4-6-19/h2-6,12-18H,7-11H2,1H3
InChIKey	InChI	1.06	JRIGNJVZPXXVRI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncc(Cc6ccccc6)cn5)c3c2
SMILES	CACTVS	3.385	Cn1cc(cn1)c2cn3ncnc(N4CCN(CC4)c5ncc(Cc6ccccc6)cn5)c3c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1cc(cn1)c2cc3c(ncnn3c2)N4CCN(CC4)c5ncc(cn5)Cc6ccccc6
SMILES	OpenEye OEToolkits	2.0.7	Cn1cc(cn1)c2cc3c(ncnn3c2)N4CCN(CC4)c5ncc(cn5)Cc6ccccc6

257179

PDB entries from 2026-07-29

PDB statistics

PDBj update info

Contact PDBj

numon