Basic information
- Standard SMILES
Cc1c(Nc2c(C#N)cncc2-c2ccc(OCCN(C)C)cc2)cc(Cl)c2[nH]ccc12- InChIKey
VVNVLPLJLDDHFG-UHFFFAOYSA-N- Molecular formula
- C25H24ClN5O
- Average molar mass
- 445.9 g/mol
Names & identifiers
- Preferred name
- 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-{4-[2-(dimethylamino)ethoxy]phenyl}nicotinonitrile
- IUPAC
- 4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-[4-[2-(dimethylamino)ethoxy]phenyl]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL2972095VVNVLPLJLDDHFG-UHFFFAOYSA-N4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]-5-{4-[2-(dimethylamino)ethoxy]phenyl}nicotinonitrile
Database identifiers
- PubChem CID
- 68462011
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 645
Related reactions
2 records
Compound notes
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