tert-butyl (1S,2R)-2-(6-carbamoyl-5-(5-fluoro-6-methylpyridin-2-ylamino)pyridazin-3-ylamino)cyclohexylcarbamate
Basic information
- Standard SMILES
Cc1nc(Nc2cc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)nnc2C(N)=O)ccc1F- InChIKey
ADIJHJYJJYXAGZ-CABCVRRESA-N- Molecular formula
- C22H30FN7O3
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.23941601
Names & identifiers
- Preferred name
- tert-butyl (1S,2R)-2-(6-carbamoyl-5-(5-fluoro-6-methylpyridin-2-ylamino)pyridazin-3-ylamino)cyclohexylcarbamate
- IUPAC
- tert-butyl N-[(1S,2R)-2-[[6-carbamoyl-5-[(5-fluoro-6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]cyclohexyl]carbamate
Names & synonyms
SCHEMBL15096273ADIJHJYJJYXAGZ-CABCVRRESA-Ntert-butyl (1S,2R)-2-(6-carbamoyl-5-(5-fluoro-6-methylpyridin-2-ylamino)pyridazin-3-ylamino)cyclohexylcarbamate
Database identifiers
- PubChem CID
- 86689736
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 677
Related reactions
1 records
Compound notes
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