Basic information
- CAS
4043-77-0- Standard SMILES
Cc1nn(C)c2ncc(C(=O)NCCC3=CCCCC3)c(SC(C)C)c12- InChIKey
QBYRXTKIEOPDFU-UHFFFAOYSA-N- Molecular formula
- C20H28N4OS
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.1983827
Names & identifiers
- Preferred name
- N-[2-(Cyclohex-1-en-1-yl)ethyl]-1,3-dimethyl-4-[(propan-2-yl)sulfanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
- IUPAC
- N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxamide
Names & synonyms
4043-77-0Oprea1_859735DTXSID20410501N-[2-(Cyclohex-1-en-1-yl)ethyl]-1,3-dimethyl-4-[(propan-2-yl)sulfanyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamideAB00013520-01
Database identifiers
- CAS
4043-77-0- PubChem CID
- 5214510
- DTXSID
DTXSID20410501
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…