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Summary Geometry Related PDB entries

JMU

Summary

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cn(C)nc1C(=O)Nc1cc2nc(cn2cc1C#N)c1ccccc1)N1CCOCC1
InChI	InChI	1.03	InChI=1S/C24H21N7O3/c1-29-14-18(24(33)30-7-9-34-10-8-30)22(28-29)23(32)27-19-11-21-26-20(16-5-3-2-4-6-16)15-31(21)13-17(19)12-25/h2-6,11,13-15H,7-10H2,1H3,(H,27,32)
InChIKey	InChI	1.03	AUIFPDZDQMKKNE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(C(=O)N2CCOCC2)c(n1)C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5
SMILES	CACTVS	3.385	Cn1cc(C(=O)N2CCOCC2)c(n1)C(=O)Nc3cc4nc(cn4cc3C#N)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1cc(c(n1)C(=O)Nc2cc3nc(cn3cc2C#N)c4ccccc4)C(=O)N5CCOCC5
SMILES	OpenEye OEToolkits	2.0.7	Cn1cc(c(n1)C(=O)Nc2cc3nc(cn3cc2C#N)c4ccccc4)C(=O)N5CCOCC5

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