Basic information
- Standard SMILES
COc1cc2c(cc1N1C[C@@H](C)N[C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(NC(C)=O)nc3C)cc1)CC2- InChIKey
DRCVSSBJGXOVHC-KDURUIRLSA-N- Molecular formula
- C30H35N5O3
- Average molar mass
- 513.6 g/mol
- Monoisotopic mass
- 513.27399
Names & identifiers
- Preferred name
- cis-1-[4-(6-Acetamido-2-methylpyridin-3-yl)benzoyl]-6-(3,5-dimethylpiperazin-1-yl)-5-methoxyindoline
- IUPAC
- N-[5-[4-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-methoxy-2,3-dihydroindole-1-carbonyl]phenyl]-6-methyl-2-pyridinyl]acetamide
Names & synonyms
SCHEMBL6102593DRCVSSBJGXOVHC-KDURUIRLSA-Ncis-1-[4-(6-Acetamido-2-methylpyridin-3-yl)benzoyl]-6-(3,5-dimethylpiperazin-1-yl)-5-methoxyindolineN-[5-(4-{[6-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-5-(methoxy)-2,3-dihydro-1H-indol-1-yl]carbonyl}phenyl)-6-methyl-2-pyridinyl]acetamide
Database identifiers
- PubChem CID
- 9958096
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 823
Related reactions
1 records
Compound notes
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