Basic information
- Standard SMILES
COC(=O)c1cn(-c2ncnc3c2ccn3C)c2ccccc12- InChIKey
DUOFOEHMCJKIBB-UHFFFAOYSA-N- Molecular formula
- C17H14N4O2
- Average molar mass
- 306.32 g/mol
Names & identifiers
- Preferred name
- 3-methoxycarbonyl-1-(7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indole
- IUPAC
- methyl 1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)indole-3-carboxylate
Names & synonyms
SCHEMBL4236069DUOFOEHMCJKIBB-UHFFFAOYSA-N3-methoxycarbonyl-1-(7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indole3-Methoxycarbonyl-1-(7-methyl-7H-pyrrolo[2,3-d]pyrimid in-4-yl)-1H-indole
Database identifiers
- PubChem CID
- 68968614
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Related reactions
4 records
Linked notes
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