Basic information
- CAS
1429171-53-8- Standard SMILES
CCOC(=O)c1cc(Cl)nc2c1c(C)nn2C1CCCCO1- InChIKey
MLTPNZUGLOJKAW-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O3
- Average molar mass
- 323.77 g/mol
- Monoisotopic mass
- 323.1036691
Names & identifiers
- Preferred name
- 6-Chloro-3-methyl-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 6-chloro-3-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
Names & synonyms
SCHEMBL14767846MLTPNZUGLOJKAW-UHFFFAOYSA-NDTXSID4011100301429171-53-81H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-chloro-3-methyl-1-(tetrahydro-2H-pyran-2-yl)-, ethyl ester6-Chloro-3-methyl-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid ethyl ester
Database identifiers
- CAS
1429171-53-8- PubChem CID
- 86680296
- DTXSID
DTXSID401110030
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Related reactions
2 records
Compound notes
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