Basic information
- Standard SMILES
Cc1ccc(-c2cn3nc(B(O)O)ccc3n2)cc1NC(=O)C(C)(C)C- InChIKey
NWQWBHHXUMOFLT-UHFFFAOYSA-N- Molecular formula
- C18H21BN4O3
- Average molar mass
- 352.2 g/mol
- Monoisotopic mass
- 352.1706707
Names & identifiers
- Preferred name
- 2-(4-Methyl-3-pivalamidophenyl)imidazo[1,2-b]pyridazin-6-ylboronic acid
- IUPAC
- [2-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]imidazo[1,2-b]pyridazin-6-yl]boronic acid
Names & synonyms
SCHEMBL10277119NWQWBHHXUMOFLT-UHFFFAOYSA-N2-(4-methyl-3-pivalamidophenyl)imidazo[1,2-b]pyridazin-6-ylboronic acid
Database identifiers
- PubChem CID
- 68089159
Properties
Computed structural properties
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 513
Related reactions
2 records
Compound notes
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