Structure via PubChem · Public domain (PubChem)
In the Vinony graph
Vinony's link graph records 95 inbound references to BAY 73-6691, and connects out to Alzheimer's disease, digital object identifier and chemical formula.
Vinony files it under 2-Chlorophenyl compounds, Chemical pages without DrugBank identifier and Drugboxes which contain changes to verified fields.
Vinony links it to 4 Wikipedia language editions.
Chemical data
- Formula
- C15H12ClF3N4O
- Molecular weight
- 356.73 g/mol
- IUPAC name
- 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
- SMILES
- C[C@H](CC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3Cl)C(F)(F)F
- InChIKey
- WDJDFFUFZOPSJA-MRVPVSSYSA-N
- XLogP
- 3.6
- Polar surface area
- 57.1 Ų
- H-bond donors
- 1
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 356.06517334399996
Show 4 more facts
- chemical formula
- C₁₅H₁₂ClF₃N₄O
- canonical SMILES
- CC(CC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3Cl)C(F)(F)F
- isomeric SMILES
- C[C@H](Cc1nc2n(-c3ccccc3Cl)[nH]cc-2c(=O)n1)C(F)(F)F
- Commons category
- BAY 73-6691
Sources (1)
via Wikidata · CC0
Connections
Alzheimer's disease
Entity
digital object identifier
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chemical formula
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caffeine
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sildenafil
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molar mass
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DL-glutamic acid
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Bayer
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hippocampus
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CAS Registry Number
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diazepam
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PubChem
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theobromine
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Anatomical Therapeutic Chemical Classification System
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simplified molecular input line entry specification
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theophylline
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ChemSpider
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IUPAC nomenclature of chemistry
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Categories
2-Chlorophenyl compoundsChemical pages without DrugBank identifierDrugboxes which contain changes to verified fieldsDrugboxes which contain changes to watched fieldsDrugs not assigned an ATC codeDrugs with no legal statusECHA InfoCard ID from WikidataLactamsPDE9 inhibitorsPyrazolopyrimidinesTrifluoromethyl compounds