Basic information
- Standard SMILES
Cc1cn(-c2ccnc(Nc3ccc4c(cnn4C)c3)n2)cc1C=O- InChIKey
OKSDAMJEAOWXSE-UHFFFAOYSA-N- Molecular formula
- C18H16N6O
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- 4-methyl-1-(2-(1-methyl-1H-indazol-5-ylamino)pyrimidin-4-yl)-1H-pyrrole-3-carbaldehyde
- IUPAC
- 4-methyl-1-[2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]pyrrole-3-carbaldehyde
Names & synonyms
SCHEMBL15133953OKSDAMJEAOWXSE-UHFFFAOYSA-N4-methyl-1-(2-(1-methyl-1H-indazol-5-ylamino)pyrimidin-4-yl)-1H-pyrrole-3-carbaldehyde
Database identifiers
- PubChem CID
- 86698992
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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