1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
Basic information
- CAS
393822-28-1- Standard SMILES
COc1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)cc1- InChIKey
KLVQBMKIYJLJAR-UHFFFAOYSA-N- Molecular formula
- C18H16N6O
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.13855916
Names & identifiers
- Preferred name
- 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amineOprea1_000317393822-28-1MLS001164961CHEMBL1345391DTXSID601325754HMS2869P13STL336659AKOS022118020SMR000540238SR-01000566489
Show more names
SR-01000566489-11-(4-Methoxyphenyl)-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- CAS
393822-28-1- PubChem CID
- 866545
- DTXSID
DTXSID601325754- ChEMBL
CHEMBL1345391
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 416
Experimental & physicochemical properties
Solubility5.7 [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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