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

A1BLC

Summary

Name:	(3P)-5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)-1H-pyrazole-4-carboxamide
Formula:	C20 H23 N5 O3
Formal charge:	0
Formula weight:	381.428 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(3P)-5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)-1H-pyrazole-4-carboxamide
OpenEye OEToolkits	3.1.0.0	5-azanyl-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	NC(=O)c1c(nn(C2CCOCC2)c1N)c1cc2ccc(OCC)cc2nc1
InChI	InChI	1.06	InChI=1S/C20H23N5O3/c1-2-28-15-4-3-12-9-13(11-23-16(12)10-15)18-17(20(22)26)19(21)25(24-18)14-5-7-27-8-6-14/h3-4,9-11,14H,2,5-8,21H2,1H3,(H2,22,26)
InChIKey	InChI	1.06	VTPYDZCVVYWSRL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOc1ccc2cc(cnc2c1)c3nn(C4CCOCC4)c(N)c3C(N)=O
SMILES	CACTVS	3.385	CCOc1ccc2cc(cnc2c1)c3nn(C4CCOCC4)c(N)c3C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C4CCOCC4)N)C(=O)N
SMILES	OpenEye OEToolkits	3.1.0.0	CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C4CCOCC4)N)C(=O)N

251422

PDB entries from 2026-04-01

PDB statistics

PDBj update info

Contact PDBj

numon