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

A1H7N

Summary

Name:	1-[3-pyridin-4-yl-2-[3-(2-pyrimidin-2-ylethynyl)phenyl]-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one
Formula:	C25 H20 N6 O
Formal charge:	0
Formula weight:	420.466 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	1-[3-pyridin-4-yl-2-[3-(2-pyrimidin-2-ylethynyl)phenyl]-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C25H20N6O/c1-2-24(32)30-16-21-22(17-30)31(20-9-13-26-14-10-20)25(29-21)19-6-3-5-18(15-19)7-8-23-27-11-4-12-28-23/h3-6,9-15H,2,16-17H2,1H3
InChIKey	InChI	1.06	LFOYLHMWBDCPST-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCC(=O)N1Cc2nc(n(c3ccncc3)c2C1)c4cccc(c4)C#Cc5ncccn5
SMILES	CACTVS	3.385	CCC(=O)N1Cc2nc(n(c3ccncc3)c2C1)c4cccc(c4)C#Cc5ncccn5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCC(=O)N1Cc2c(n(c(n2)c3cccc(c3)C#Cc4ncccn4)c5ccncc5)C1
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1Cc2c(n(c(n2)c3cccc(c3)C#Cc4ncccn4)c5ccncc5)C1

248335

PDB entries from 2026-01-28

PDB statistics

PDBj update info

Contact PDBj

numon