1-[2-[4-(4-Chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
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Basic information
- Standard SMILES
COc1cc(N2CCN(C(=O)Cn3nc(C#N)c4cccnc43)C(C)C2)c(F)cc1Cl- InChIKey
RVAGHXIBMMWLJE-UHFFFAOYSA-N- Molecular formula
- C21H20ClFN6O2
- Average molar mass
- 442.9 g/mol
Names & identifiers
- Preferred name
- 1-[2-[4-(4-Chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
- IUPAC
- 1-[2-[4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL1637806
Database identifiers
- PubChem CID
- 67103643
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 707
Related reactions
2 records
Compound notes
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