Basic information
- Standard SMILES
OCCc1cnn(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)c1- InChIKey
QRFRAKBWRNDXNA-UHFFFAOYSA-N- Molecular formula
- C22H25FN6O
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- 2-(1-(6-(4-(6-fluoroindolin-1-yl)piperidin-1-yl)pyridazin-3-yl)-1H-pyrazol-4-yl)ethanol
- IUPAC
- 2-[1-[6-[4-(6-fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol
Names & synonyms
CHEMBL3127645SCHEMBL15014060QRFRAKBWRNDXNA-UHFFFAOYSA-NBDBM504486682-(1-(6-(4-(6-fluoroindolin-1-yl)piperidin-1-yl)pyridazin-3-yl)-1H-pyrazol-4-yl)ethanol
Database identifiers
- PubChem CID
- 76332840
- ChEMBL
CHEMBL3127645
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 562
Related reactions
1 records
Compound notes
Loading…