Basic information
- Standard SMILES
O[C@@H]1CNCCN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1- InChIKey
QDSYVSQEYVFTTI-MRXNPFEDSA-N- Molecular formula
- C21H21F3N8O
- Average molar mass
- 458.4 g/mol
Names & identifiers
- Preferred name
- (R)-1-(6-(6-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridine-1-yl)pyridin-2-yl)-1,4-diazepan-6-ol
- IUPAC
- (6R)-1-[6-[6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,4-diazepan-6-ol
Names & synonyms
(R)-1-(6-(6-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridine-1-yl)pyridin-2-yl)-1,4-diazepan-6-olCHEMBL4113332SCHEMBL15400986BDBM248957US9434725, 188
Database identifiers
- PubChem CID
- 72715622
- ChEMBL
CHEMBL4113332
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 657
Related reactions
1 records
Compound notes
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