Basic information
- Standard SMILES
Cc1c(OCc2ccccc2)cn2ncnc(Oc3cnc4[nH]ccc4c3F)c12- InChIKey
KKFIQPYUIHVKBH-UHFFFAOYSA-N- Molecular formula
- C21H16FN5O2
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.12880293
Names & identifiers
- Preferred name
- 6-Benzyloxy-4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yloxy)-5-methyl-pyrrolo[2,1-f][1,2,4]triazine
- IUPAC
- 4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-phenylmethoxypyrrolo[2,1-f][1,2,4]triazine
Names & synonyms
SCHEMBL1683408KKFIQPYUIHVKBH-UHFFFAOYSA-N6-Benzyloxy-4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yloxy)-5-methyl-pyrrolo[2,1-f][1,2,4]triazine
Database identifiers
- PubChem CID
- 22273663
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 551
Related reactions
2 records
Compound notes
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