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Summary Geometry Related PDB entries

YK0

Summary

Name:	N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide
Formula:	C24 H21 F3 N4 O3
Formal charge:	0
Formula weight:	470.444 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[2-[4-(hydroxymethyl)phenyl]-6-(2-oxidanylpropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)c1ccc(CO)cc1
InChI	InChI	1.06	InChI=1S/C24H21F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-12,32,34H,13H2,1-2H3,(H,29,33)
InChIKey	InChI	1.06	YTQVSNUZNYHPOL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)(O)c1cc2nn(cc2cc1NC(=O)c3cccc(n3)C(F)(F)F)c4ccc(CO)cc4
SMILES	CACTVS	3.385	CC(C)(O)c1cc2nn(cc2cc1NC(=O)c3cccc(n3)C(F)(F)F)c4ccc(CO)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)(c1cc2c(cc1NC(=O)c3cccc(n3)C(F)(F)F)cn(n2)c4ccc(cc4)CO)O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(c1cc2c(cc1NC(=O)c3cccc(n3)C(F)(F)F)cn(n2)c4ccc(cc4)CO)O

222415

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