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 | |
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Formal Charge | 0 |
Atom Count | 56 |
Chiral Atom Count | 0 |
Bond Count | 58 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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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 |
Formula | C20 H26 N4 O5 S |
Molecular Weight | 434.509 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COc1cc2NN(CC[S](C)(=O)=O)Cc2cc1NC(=O)c3cccc(n3)C(C)(C)O |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(c1cccc(n1)C(=O)Nc2cc3c(cc2OC)NN(C3)CCS(=O)(=O)C)O |
Canonical SMILES | CACTVS | 3.385 | COc1cc2NN(CC[S](C)(=O)=O)Cc2cc1NC(=O)c3cccc(n3)C(C)(C)O |
Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(c1cccc(n1)C(=O)Nc2cc3c(cc2OC)NN(C3)CCS(=O)(=O)C)O |
InChI | InChI | 1.06 | 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) |
InChIKey | InChI | 1.06 | HQQITEXYMNLVOA-UHFFFAOYSA-N |