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Basic information
- Standard SMILES
CS(=O)(=O)N1CCN(c2ccc(Nc3nccc(-c4cnn(C(CC#N)C5CCCC5)c4)n3)cc2)CC1- InChIKey
LKBZCMOFBKANLQ-UHFFFAOYSA-N- Molecular formula
- C26H32N8O2S
- Average molar mass
- 520.7 g/mol
Names & identifiers
- Preferred name
- 3-cyclopentyl-3-(4-(2-(4-(4-(methylsulfonyl)piperazin-1-yl)phenylamino)pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile
- IUPAC
- 3-cyclopentyl-3-[4-[2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
Names & synonyms
SCHEMBL2355849LKBZCMOFBKANLQ-UHFFFAOYSA-N3-cyclopentyl-3-(4-(2-(4-(4-(methylsulfonyl)piperazin-1-yl)phenylamino)pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile
Database identifiers
- PubChem CID
- 58014652
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 882
Related reactions
1 records
Compound notes
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