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Basic information
- Standard SMILES
CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2cnc3c(c2)CCC3)CC1- InChIKey
JDTQYWJEAXFOQN-UHFFFAOYSA-N- Molecular formula
- C22H26F3N5O
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-((2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl)methyl)urea
- IUPAC
- 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
Names & synonyms
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-((2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl)methyl)ureaSCHEMBL14656773
Database identifiers
- PubChem CID
- 71236968
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 610
Related reactions
1 records
Compound notes
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