N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
Basic information
- CAS
866131-86-4- Standard SMILES
CC(=O)Nc1nn(C)c2nc(C)cc(C)c12- InChIKey
XPOAKLOOULAASH-UHFFFAOYSA-N- Molecular formula
- C11H14N4O
- Average molar mass
- 218.26 g/mol
- Monoisotopic mass
- 218.11676108
Names & identifiers
- Preferred name
- N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
- IUPAC
- N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)acetamide
Names & synonyms
N-(1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide866131-86-4N-(1,4,6-trimethylpyrazolo[3,4-b]pyridin-3-yl)acetamideN-{1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl}acetamideMLS000720571CHEMBL1361684DTXSID401320758HMS2716J05AKOS015993432SMR0003363317T-0132
Database identifiers
- CAS
866131-86-4- PubChem CID
- 1485484
- DTXSID
DTXSID401320758- ChEMBL
CHEMBL1361684
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
Solubility28.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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