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

KEV

Summary

Name:	N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
Formula:	C19 H17 Cl N6 O2
Formal charge:	0
Formula weight:	396.83 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
OpenEye OEToolkits	2.0.6	~{N}-[3-(5-chloranyl-2-methoxy-phenyl)-1-methyl-pyrazol-4-yl]-2-methyl-pyrazolo[4,3-c]pyridine-7-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4c(C(=O)Nc2cn(nc2c1cc(ccc1OC)Cl)C)c3nn(cc3cn4)C
InChI	InChI	1.03	InChI=1S/C19H17ClN6O2/c1-25-9-11-7-21-8-14(17(11)23-25)19(27)22-15-10-26(2)24-18(15)13-6-12(20)4-5-16(13)28-3/h4-10H,1-3H3,(H,22,27)
InChIKey	InChI	1.03	FCWWZBZYMGWKGY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(Cl)cc1c2nn(C)cc2NC(=O)c3cncc4cn(C)nc34
SMILES	CACTVS	3.385	COc1ccc(Cl)cc1c2nn(C)cc2NC(=O)c3cncc4cn(C)nc34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cn1cc2cncc(c2n1)C(=O)Nc3cn(nc3c4cc(ccc4OC)Cl)C
SMILES	OpenEye OEToolkits	2.0.6	Cn1cc2cncc(c2n1)C(=O)Nc3cn(nc3c4cc(ccc4OC)Cl)C

218853

PDB entries from 2024-04-24

PDB statistics

PDBj update info

Contact PDBj

numon