Basic information
- Standard SMILES
c1cn(-c2ccc(OC3CCCN(Cc4ccc5c(c4)OCO5)C3)nn2)cn1- InChIKey
QYDFDUCNHWMTCI-UHFFFAOYSA-N- Molecular formula
- C20H21N5O3
- Average molar mass
- 379.4 g/mol
Names & identifiers
- Preferred name
- 3-[(6-(Imidazol-1-yl)pyridazin-3-yl)oxy]-1-[(1,3-benzodioxol-5-yl)methyl]piperidine
- IUPAC
- 3-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]oxy-6-imidazol-1-ylpyridazine
Names & synonyms
CHEMBL233032SCHEMBL5238642QYDFDUCNHWMTCI-UHFFFAOYSA-NBDBM502084823-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-3-yloxy)-6-(1H-imidazol-1-yl)pyridazine3-[(6-(imidazol-1-yl)pyridazin-3-yl)oxy]-1-[(1,3-benzodioxol-5-yl)methyl]piperdine3-[(6-(imidazol-1-yl)pyridazin-3-yl)oxy]-1-[(1,3-benzodioxol-5-yl)methyl]piperidine
Database identifiers
- PubChem CID
- 9999752
- ChEMBL
CHEMBL233032
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 512
Related reactions
3 records
Compound notes
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