Basic information
- Standard SMILES
CC(C)N(CCOc1cc(-c2c(O)[nH]c3cc(C#N)ccc23)ncn1)C(C)C.Cl- InChIKey
AGVXDOWZYXXJDV-UHFFFAOYSA-N- Molecular formula
- C21H26ClN5O2
- Average molar mass
- 415.9 g/mol
- Monoisotopic mass
- 415.1775028
Names & identifiers
- Preferred name
- 3-{6-[2-(Diisopropylamino)ethoxy]pyrimidin-4-yl}-2-hydroxy-1H-indole-6-carbonitrile hydrochloride
- IUPAC
- 3-[6-[2-[di(propan-2-yl)amino]ethoxy]pyrimidin-4-yl]-2-hydroxy-1H-indole-6-carbonitrile;hydrochloride
Names & synonyms
SCHEMBL3194335AGVXDOWZYXXJDV-UHFFFAOYSA-N3-{6-[2-(Diisopropylamino)ethoxy]pyrimidin-4-yl}-2-hydroxy-1H-indole-6-carbonitrile hydrochloride
Database identifiers
- PubChem CID
- 136338393
Properties
Computed structural properties
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 540
Related reactions
1 records
Compound notes
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