Basic information
- Standard SMILES
Cc1cc(Cl)nc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12- InChIKey
SAOLXPBOQHFQOO-CQSZACIVSA-N- Molecular formula
- C22H21ClN4O3
- Average molar mass
- 424.9 g/mol
Names & identifiers
- Preferred name
- 1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
- IUPAC
- 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
Names & synonyms
SCHEMBL1763204SAOLXPBOQHFQOO-CQSZACIVSA-N1-benzoyl-3-(R)-methyl-4-[(5-chloro-7-methyl-4-azaindol-3-yl)-oxoacetyl]piperazine1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dionePiperazine, 4-benzoyl-1-[2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1,2-dioxoethyl]-2-methyl-, (2R)-
Database identifiers
- PubChem CID
- 5495837
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 683
Related reactions
2 records
Compound notes
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