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Basic information
- Standard SMILES
COc1ncc(-c2cc(NC(=O)c3csc(C)n3)c3cn[nH]c3c2)cc1NS(C)(=O)=O- InChIKey
YVJCSJHIPSLOHT-UHFFFAOYSA-N- Molecular formula
- C19H18N6O4S2
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.08309542
Names & identifiers
- Preferred name
- 2-Methyl-N-(6-{6-(methyloxy)-5-[(methylsulfonyl)amino]-3-pyridinyl}-1H-indazol-4-yl)-1,3-thiazole-4-carboxamide
- IUPAC
- N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
Names & synonyms
CHEMBL4592637SCHEMBL1772270YVJCSJHIPSLOHT-UHFFFAOYSA-NBDBM505364172-Methyl-N-(6-{6-(methyloxy)-5-[(methylsulfonyl)amino]-3-pyridinyl}-1H-indazol-4-yl)-1,3-thiazole-4-carboxamide
Database identifiers
- PubChem CID
- 44541044
- ChEMBL
CHEMBL4592637
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 750
Related reactions
1 records
Compound notes
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