Tert-butyl 4-(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-ylamino)-3,3-dimethylpiperidine-1-carboxylate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Nc2c(C(N)=O)cnn3cc(Br)cc23)C(C)(C)C1- InChIKey
YOMPMDICQQYOKJ-UHFFFAOYSA-N- Molecular formula
- C20H28BrN5O3
- Average molar mass
- 466.4 g/mol
- Monoisotopic mass
- 465.13755
Names & identifiers
- Preferred name
- Tert-butyl 4-(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-ylamino)-3,3-dimethylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]-3,3-dimethylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL12491931YOMPMDICQQYOKJ-UHFFFAOYSA-Ntert-butyl 4-(6-bromo-3-carbamoylpyrrolo[1,2-b]pyridazin-4-ylamino)-3,3-dimethylpiperidine-1-carboxylate
Database identifiers
- PubChem CID
- 68290809
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 638
Related reactions
1 records
Compound notes
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