Basic information
- Standard SMILES
Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(Cl)c2)c2c(N)ncnc21- InChIKey
KWZXRCBCAYLKPI-UHFFFAOYSA-N- Molecular formula
- C23H20ClN5O
- Average molar mass
- 417.9 g/mol
- Monoisotopic mass
- 417.135638
Names & identifiers
- Preferred name
- 5-{1-[(3-chlorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
- IUPAC
- 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(3-chlorophenyl)ethanone
Names & synonyms
CHEMBL2171122SCHEMBL868468KWZXRCBCAYLKPI-UHFFFAOYSA-NGSK2606590ABDBM503965365-{1-[(3-chlorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 53469449
- ChEMBL
CHEMBL2171122
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 635
Related reactions
2 records
Compound notes
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