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Summary Geometry Related PDB entries

ILZ

Summary

Name:	4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
Formula:	C21 H24 N6 O2
Formal charge:	0
Formula weight:	392.454 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
OpenEye OEToolkits	3.1.0.0	4-(azetidin-1-ylcarbonyl)-2-methyl-~{N}-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]pyrazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(c1cnn(C)c1C(=O)NCCc1nc(cn1C)c1ccccc1)N1CCC1
InChI	InChI	1.06	InChI=1S/C21H24N6O2/c1-25-14-17(15-7-4-3-5-8-15)24-18(25)9-10-22-20(28)19-16(13-23-26(19)2)21(29)27-11-6-12-27/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,22,28)
InChIKey	InChI	1.06	PPQVWRNRKSICPC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(nc1CCNC(=O)c2n(C)ncc2C(=O)N3CCC3)c4ccccc4
SMILES	CACTVS	3.385	Cn1cc(nc1CCNC(=O)c2n(C)ncc2C(=O)N3CCC3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cn1cc(nc1CCNC(=O)c2c(cnn2C)C(=O)N3CCC3)c4ccccc4
SMILES	OpenEye OEToolkits	3.1.0.0	Cn1cc(nc1CCNC(=O)c2c(cnn2C)C(=O)N3CCC3)c4ccccc4

246905

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