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Summary Geometry Related PDB entries

A1A6M

Summary

Name:	(3P)-N-(2,6-dimethylphenyl)-6-methoxy-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole-5-carboxamide
Formula:	C21 H21 N5 O2
Formal charge:	0
Formula weight:	375.424 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(3P)-N-(2,6-dimethylphenyl)-6-methoxy-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole-5-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-(2,6-dimethylphenyl)-6-methoxy-3-(1-methylpyrazol-4-yl)-1~{H}-indazole-5-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1cccc(C)c1NC(=O)c1cc2c(cc1OC)[NH]nc2c1cn(C)nc1
InChI	InChI	1.06	InChI=1S/C21H21N5O2/c1-12-6-5-7-13(2)19(12)23-21(27)16-8-15-17(9-18(16)28-4)24-25-20(15)14-10-22-26(3)11-14/h5-11H,1-4H3,(H,23,27)(H,24,25)
InChIKey	InChI	1.06	FPFXIZOOXNNWKA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc2[nH]nc(c3cnn(C)c3)c2cc1C(=O)Nc4c(C)cccc4C
SMILES	CACTVS	3.385	COc1cc2[nH]nc(c3cnn(C)c3)c2cc1C(=O)Nc4c(C)cccc4C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cccc(c1NC(=O)c2cc3c(cc2OC)[nH]nc3c4cnn(c4)C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1NC(=O)c2cc3c(cc2OC)[nH]nc3c4cnn(c4)C)C

248636

PDB entries from 2026-02-04

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