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

KH6

Summary

Name:	N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide
Formula:	C24 H21 N7 O3
Formal charge:	0
Formula weight:	455.469 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-(6-cyano-2-phenyl-imidazo[1,2-a]pyridin-7-yl)-2-methyl-4-morpholin-4-ylcarbonyl-pyrazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1C#N)c1ccccc1)N1CCOCC1
InChI	InChI	1.03	InChI=1S/C24H21N7O3/c1-29-22(18(13-26-29)24(33)30-7-9-34-10-8-30)23(32)28-19-11-21-27-20(16-5-3-2-4-6-16)15-31(21)14-17(19)12-25/h2-6,11,13-15H,7-10H2,1H3,(H,28,32)
InChIKey	InChI	1.03	XPAANSYBDVANMN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5
SMILES	CACTVS	3.385	Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1c(c(cn1)C(=O)N2CCOCC2)C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	Cn1c(c(cn1)C(=O)N2CCOCC2)C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5

222415

건을2024-07-10부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon