Basic information
- Standard SMILES
Clc1ccc(-c2ccc(C#Cc3ccc(NCCN4CCCC4)nc3)nc2)cc1- InChIKey
XUFVXOJDQKMSGB-UHFFFAOYSA-N- Molecular formula
- C24H23ClN4
- Average molar mass
- 402.9 g/mol
Names & identifiers
- Preferred name
- {5-[5-(4-Chloro-phenyl)-pyridin-2-ylethynyl]-pyridin-2-yl}-(2-pyrrolidin-1-yl-ethyl)-amine
- IUPAC
- 5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
Names & synonyms
SCHEMBL2321284XUFVXOJDQKMSGB-UHFFFAOYSA-N{5-[5-(4-chloro-phenyl)-pyridin-2-ylethynyl]-pyridin-2-yl}-(2-pyrrolidin-1-yl-ethyl)-amine
Database identifiers
- PubChem CID
- 10250554
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 556
Related reactions
5 records
Compound notes
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