2-{[(2R,6S)-2,6-Dimethyl-4-morpholinyl]methyl}-N-{6-[6-(methyloxy)-5-({[2-(4-methyl-1-piperazinyl)ethyl]sulfonyl}amino)-3-pyridinyl]-1H-indazol-4-yl}-1,3-thiazole-4-carboxamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1ncc(-c2cc(NC(=O)c3csc(CN4C[C@@H](C)O[C@@H](C)C4)n3)c3cn[nH]c3c2)cc1NS(=O)(=O)CCN1CCN(C)CC1- InChIKey
GBRXUWJLKVDPKQ-OYRHEFFESA-N- Molecular formula
- C31H41N9O5S2
- Average molar mass
- 683.8 g/mol
Names & identifiers
- Preferred name
- 2-{[(2R,6S)-2,6-Dimethyl-4-morpholinyl]methyl}-N-{6-[6-(methyloxy)-5-({[2-(4-methyl-1-piperazinyl)ethyl]sulfonyl}amino)-3-pyridinyl]-1H-indazol-4-yl}-1,3-thiazole-4-carboxamide
- IUPAC
- 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-[2-(4-methylpiperazin-1-yl)ethylsulfonylamino]-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
Names & synonyms
SCHEMBL1771621GBRXUWJLKVDPKQ-OYRHEFFESA-N2-{[(2R,6S)-2,6-Dimethyl-4-morpholinyl]methyl}-N-{6-[6-(methyloxy)-5-({[2-(4-methyl-1-piperazinyl)ethyl]sulfonyl}amino)-3-pyridinyl]-1H-indazol-4-yl}-1,3-thiazole-4-carboxamide
Database identifiers
- PubChem CID
- 44540035
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
1 records
Compound notes
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