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Summary Geometry Related PDB entries

5FJ

Summary

Name:	N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide
Formula:	C21 H24 F3 N7 O2
Formal charge:	0
Formula weight:	463.456 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide
OpenEye OEToolkits	1.9.2	N-tert-butyl-3-[1-[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]piperidin-4-yl]imidazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(F)(F)(F)c1oc(nn1)c4cnc(N3CCC(n2c(C(NC(C)(C)C)=O)cnc2)CC3)cc4
InChI	InChI	1.03	InChI=1S/C21H24F3N7O2/c1-20(2,3)27-17(32)15-11-25-12-31(15)14-6-8-30(9-7-14)16-5-4-13(10-26-16)18-28-29-19(33-18)21(22,23)24/h4-5,10-12,14H,6-9H2,1-3H3,(H,27,32)
InChIKey	InChI	1.03	HWSHOMMVLGBIDN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4oc(nn4)C(F)(F)F
SMILES	CACTVS	3.385	CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4oc(nn4)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4nnc(o4)C(F)(F)F
SMILES	OpenEye OEToolkits	1.9.2	CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4nnc(o4)C(F)(F)F

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