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Summary Geometry Related PDB entries

IYD

Summary

Name:	N~4~-(2-methoxyethyl)-N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
Formula:	C23 H24 N6 O3
Formal charge:	0
Formula weight:	432.475 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~4~-(2-methoxyethyl)-N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
OpenEye OEToolkits	2.0.7	~{N}4-(2-methoxyethyl)-~{N}4,2-dimethyl-~{N}3-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N(C)CCOC
InChI	InChI	1.03	InChI=1S/C23H24N6O3/c1-27(11-12-32-3)23(31)18-14-24-28(2)21(18)22(30)25-17-9-10-29-15-19(26-20(29)13-17)16-7-5-4-6-8-16/h4-10,13-15H,11-12H2,1-3H3,(H,25,30)
InChIKey	InChI	1.03	OOXXGQHVVGMCGR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3c2)c4ccccc4
SMILES	CACTVS	3.385	COCCN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3c2)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1c(c(cn1)C(=O)N(C)CCOC)C(=O)Nc2ccn3cc(nc3c2)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	Cn1c(c(cn1)C(=O)N(C)CCOC)C(=O)Nc2ccn3cc(nc3c2)c4ccccc4

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