5-((4-(7-amino-6-bromo-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl)methyl)-1,3,4-oxadiazol-2(3H)-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Nc1c(Br)c(C2CCC(Cc3n[nH]c(=O)o3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12- InChIKey
JUMLWIZKWFUUMR-UHFFFAOYSA-N- Molecular formula
- C26H24BrN7O2
- Average molar mass
- 546.4 g/mol
Names & identifiers
- Preferred name
- 5-((4-(7-amino-6-bromo-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl)methyl)-1,3,4-oxadiazol-2(3H)-one
- IUPAC
- 5-[[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]methyl]-3H-1,3,4-oxadiazol-2-one
Names & synonyms
SCHEMBL2679588JUMLWIZKWFUUMR-UHFFFAOYSA-N5-((4-(7-amino-6-bromo-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl)methyl)-1,3,4-oxadiazol-2(3H)-one
Database identifiers
- PubChem CID
- 67494304
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 816
Related reactions
2 records
Compound notes
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