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Summary

Name:	N~4~-(2-fluoroethyl)-N~4~,1-dimethyl-N~5~-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
Formula:	C21 H20 F N7 O2
Formal charge:	0
Formula weight:	421.428 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~4~-(2-fluoroethyl)-N~4~,1-dimethyl-N~5~-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
OpenEye OEToolkits	2.0.7	~{N}4-(2-fluoranylethyl)-~{N}4,2-dimethyl-~{N}3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1
InChI	InChI	1.03	InChI=1S/C21H20FN7O2/c1-27(11-9-22)21(31)16-13-23-28(2)18(16)20(30)24-15-8-10-29-17(12-15)25-19(26-29)14-6-4-3-5-7-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,30)
InChIKey	InChI	1.03	IOYJTSXZJKAYPP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(CCF)C(=O)c1cnn(C)c1C(=O)Nc2ccn3nc(nc3c2)c4ccccc4
SMILES	CACTVS	3.385	CN(CCF)C(=O)c1cnn(C)c1C(=O)Nc2ccn3nc(nc3c2)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1c(c(cn1)C(=O)N(C)CCF)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	Cn1c(c(cn1)C(=O)N(C)CCF)C(=O)Nc2ccn3c(c2)nc(n3)c4ccccc4

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건을2024-07-10부터공개중

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