Basic information
- Standard SMILES
O=CN1CCC(CCCNc2ncc(Cl)c(-c3cc4c(C(=O)NC5CC5)cccc4s3)n2)CC1- InChIKey
GSDNLQXGDYOHQY-UHFFFAOYSA-N- Molecular formula
- C25H28ClN5O2S
- Average molar mass
- 498 g/mol
Names & identifiers
- Preferred name
- 2-{5-Chloro-2-[3-(1-formylpiperidin-4-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid cyclopropylamide
- IUPAC
- 2-[5-chloro-2-[3-(1-formylpiperidin-4-yl)propylamino]pyrimidin-4-yl]-N-cyclopropyl-1-benzothiophene-4-carboxamide
Names & synonyms
SCHEMBL3963412GSDNLQXGDYOHQY-UHFFFAOYSA-N2-{5-Chloro-2-[3-(1-formylpiperidin-4-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-4-carboxylic acid cyclopropylamide
Database identifiers
- PubChem CID
- 86625375
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 705
Related reactions
2 records
Compound notes
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