R6I

~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide

Created: 2022-11-23
Last modified:  2024-01-31

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Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count58
Aromatic Bond Count12
2D diagram of R6I

Chemical Component Summary

Name~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide
FormulaC20 H26 N4 O5 S
Molecular Weight434.509
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COc1cc2NN(CC[S](C)(=O)=O)Cc2cc1NC(=O)c3cccc(n3)C(C)(C)O
SMILESOpenEye OEToolkits3.1.0.0CC(C)(c1cccc(n1)C(=O)Nc2cc3c(cc2OC)NN(C3)CCS(=O)(=O)C)O
Canonical SMILESCACTVS3.385 COc1cc2NN(CC[S](C)(=O)=O)Cc2cc1NC(=O)c3cccc(n3)C(C)(C)O
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC(C)(c1cccc(n1)C(=O)Nc2cc3c(cc2OC)NN(C3)CCS(=O)(=O)C)O
InChIInChI1.06 InChI=1S/C20H26N4O5S/c1-20(2,26)18-7-5-6-14(21-18)19(25)22-16-10-13-12-24(8-9-30(4,27)28)23-15(13)11-17(16)29-3/h5-7,10-11,23,26H,8-9,12H2,1-4H3,(H,22,25)
InChIKeyInChI1.06 HQQITEXYMNLVOA-UHFFFAOYSA-N