Basic information
- Standard SMILES
N#CCC1(n2cc(-c3ccnc(Nc4ccc(-n5cccn5)cc4)n3)cn2)CCN(S(=O)(=O)C2CC2)CC1- InChIKey
KNJRJHDWULCCHQ-UHFFFAOYSA-N- Molecular formula
- C26H27N9O2S
- Average molar mass
- 529.6 g/mol
Names & identifiers
- Preferred name
- 1-(cyclopropylsulfonyl)-4-(4-(2-(4-(1H-pyrazol-1-yl)phenyl)aminopyrimidin-4-yl)-1H-pyrazol-1-yl)piperidin-4-ylacetonitrile
- IUPAC
- 2-[1-cyclopropylsulfonyl-4-[4-[2-(4-pyrazol-1-ylanilino)pyrimidin-4-yl]pyrazol-1-yl]piperidin-4-yl]acetonitrile
Names & synonyms
SCHEMBL3312493KNJRJHDWULCCHQ-UHFFFAOYSA-N1-(cyclopropylsulfonyl)-4-(4-(2-(4-(1H-pyrazol-1-yl)phenyl)aminopyrimidin-4-yl)-1H-pyrazol-1-yl)piperidin-4-ylacetonitrile
Database identifiers
- PubChem CID
- 58014333
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 961
Related reactions
2 records
Compound notes
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