2-[4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
Basic information
- Standard SMILES
O=C(CN1CCN(C(=O)c2ccc(C=Cc3n[nH]c4ccccc34)cc2)CC1)N1CCCC1- InChIKey
KOKXOSGLMUOOID-UHFFFAOYSA-N- Molecular formula
- C26H29N5O2
- Average molar mass
- 443.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
- IUPAC
- 2-[4-[4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
Names & synonyms
SCHEMBL1596001
Database identifiers
- PubChem CID
- 67089613
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 705
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Related reactions
1 records
Compound notes
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