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Summary Geometry Related PDB entries

A1A3O

Summary

Name:	[(4R)-imidazo[1,5-a]pyridin-8-yl]{4-[(1M)-3'-nitro[1,1'-biphenyl]-2-yl]piperazin-1-yl}methanone
Formula:	C24 H21 N5 O3
Formal charge:	0
Formula weight:	427.455 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	[(4R)-imidazo[1,5-a]pyridin-8-yl]{4-[(1M)-3'-nitro[1,1'-biphenyl]-2-yl]piperazin-1-yl}methanone
OpenEye OEToolkits	2.0.7	imidazo[1,5-a]pyridin-8-yl-[4-[2-(3-nitrophenyl)phenyl]piperazin-1-yl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(c1cccn2cncc21)N1CCN(CC1)c1ccccc1c1cccc(c1)[N+]([O-])=O
InChI	InChI	1.06	InChI=1S/C24H21N5O3/c30-24(21-8-4-10-28-17-25-16-23(21)28)27-13-11-26(12-14-27)22-9-2-1-7-20(22)18-5-3-6-19(15-18)29(31)32/h1-10,15-17H,11-14H2
InChIKey	InChI	1.06	RAJYUQUPQDWVAH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[O-][N+](=O)c1cccc(c1)c2ccccc2N3CCN(CC3)C(=O)c4cccn5cncc45
SMILES	CACTVS	3.385	[O-][N+](=O)c1cccc(c1)c2ccccc2N3CCN(CC3)C(=O)c4cccn5cncc45
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2cccc(c2)[N+](=O)[O-])N3CCN(CC3)C(=O)c4cccn5c4cnc5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2cccc(c2)[N+](=O)[O-])N3CCN(CC3)C(=O)c4cccn5c4cnc5

250835

PDB entries from 2026-03-18

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