Basic information
- Standard SMILES
CC1=C(C#N)C(c2ccc3[nH]ncc3c2F)C(C#N)=C(C)N1- InChIKey
COQSTZZIKUFFTC-UHFFFAOYSA-N- Molecular formula
- C16H12FN5
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.10767357
Names & identifiers
- Preferred name
- 4-(4-fluoro-1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarbonitrile
- IUPAC
- 4-(4-fluoro-1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Names & synonyms
SCHEMBL4437421COQSTZZIKUFFTC-UHFFFAOYSA-N4-(4-fluoro-1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarbonitrile
Database identifiers
- PubChem CID
- 69044008
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 608
Related reactions
1 records
Compound notes
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