Basic information
- Standard SMILES
CCN(Cc1ccc(OC)cc1)c1nc(Nc2cc(C#N)cc(CCCN3CCN(C)CC3)c2Cl)nn2c(C#N)cnc12- InChIKey
PWUUEYBBFKSEBJ-UHFFFAOYSA-N- Molecular formula
- C31H35ClN10O
- Average molar mass
- 599.1 g/mol
Names & identifiers
- Preferred name
- 2-((2-Chloro-5-cyano-3-(3-(4-methylpiperazin-1-yl)propyl)phenyl)amino)-4-(ethyl(4-methoxybenzyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
- IUPAC
- 2-[2-chloro-5-cyano-3-[3-(4-methylpiperazin-1-yl)propyl]anilino]-4-[ethyl-[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
Names & synonyms
SCHEMBL15414561PWUUEYBBFKSEBJ-UHFFFAOYSA-N2-((2-chloro-5-cyano-3-(3-(4-methylpiperazin-1-yl)propyl)phenyl)amino)-4-(ethyl(4-methoxybenzyl)amino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
Database identifiers
- PubChem CID
- 89923241
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 970
Related reactions
1 records
Compound notes
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