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

A1B9A

Summary

Name:	6-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Formula:	C19 H19 N5 O
Formal charge:	0
Formula weight:	333.387 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	6-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
OpenEye OEToolkits	3.1.0.0	6-cyclopropyl-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-1-methyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(Nc1cc2CNCc2cc1)c1cc(nc2c1cnn2C)C1CC1
InChI	InChI	1.06	InChI=1S/C19H19N5O/c1-24-18-16(10-21-24)15(7-17(23-18)11-2-3-11)19(25)22-14-5-4-12-8-20-9-13(12)6-14/h4-7,10-11,20H,2-3,8-9H2,1H3,(H,22,25)
InChIKey	InChI	1.06	LNYJGWJCZZHSQQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1ncc2c1nc(cc2C(=O)Nc3ccc4CNCc4c3)C5CC5
SMILES	CACTVS	3.385	Cn1ncc2c1nc(cc2C(=O)Nc3ccc4CNCc4c3)C5CC5
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cn1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc5c(c4)CNC5
SMILES	OpenEye OEToolkits	3.1.0.0	Cn1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc5c(c4)CNC5

251801

PDB entries from 2026-04-08

PDB statistics

PDBj update info

Contact PDBj

numon