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Basic information
- Standard SMILES
CC(Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C3CCNCC3)n2C)n1)c1ccccc1- InChIKey
OYTOWRNFVUUVHK-UHFFFAOYSA-N- Molecular formula
- C27H29FN6O
- Average molar mass
- 472.6 g/mol
Names & identifiers
- Preferred name
- 4-(4-Fluorophenyl)-1-methyl-5-[2-(1-phenylethylamino)-pyrimidin-4-yl]-2-piperidin-4-yl-1,2-dihydropyrazol-3-one
- IUPAC
- 4-(4-fluorophenyl)-1-methyl-5-[2-(1-phenylethylamino)pyrimidin-4-yl]-2-piperidin-4-ylpyrazol-3-one
Names & synonyms
SCHEMBL6622700OYTOWRNFVUUVHK-UHFFFAOYSA-N4-(4-fluorophenyl)-1-methyl-5-[2-(1-phenylethylamino)-pyrimidin-4-yl]-2-piperidin-4-yl-1,2-dihydropyrazol-3-one
Database identifiers
- PubChem CID
- 10217331
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 757
Related reactions
1 records
Compound notes
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