Basic information
- Standard SMILES
CCCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1- InChIKey
OOKMPJVYBPSYMC-AWEZNQCLSA-N- Molecular formula
- C23H35FN8O
- Average molar mass
- 458.6 g/mol
Names & identifiers
- Preferred name
- US11220518, Ex. No. I1
- IUPAC
- [3-[(5-fluoro-2-propylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone
Names & synonyms
SCHEMBL2879310CHEMBL5918129SCHEMBL29638968OOKMPJVYBPSYMC-AWEZNQCLSA-NBDBM533452US11220518, Ex. No. I1N-(5-fluoro-2-propylpyrimidin-4-yl)-6,6-dimethyl-5-{[(25)-2,4,5,5-tetramethylpiperazin-1-yl]carbonyl}-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-amine
Database identifiers
- PubChem CID
- 25155477
- ChEMBL
CHEMBL5918129
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 721
Related reactions
2 records
Compound notes
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