Basic information
- Standard SMILES
CCOC(=O)c1ccc2c(C(=O)NCc3cncc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1- InChIKey
JGTZRCXDZWOJBT-UHFFFAOYSA-N- Molecular formula
- C27H27FN4O3
- Average molar mass
- 474.5 g/mol
Names & identifiers
- Preferred name
- Ethyl3-((5-Fluoropyridin-3-yl)methylcarbamoyl)-2-isopropyl-1-(pyridin-2-ylmethyl)-1H-indole-6-carboxylate
- IUPAC
- ethyl 3-[(5-fluoro-3-pyridinyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate
Names & synonyms
CHEMBL3655428SCHEMBL14110337JGTZRCXDZWOJBT-UHFFFAOYSA-NBDBM101062US8524917, 35Ethyl 3-((5-Fluoropyridin-3-yl)methylcarbamoyl)-2-isopropyl-1-(pyridin-2-ylmethyl)-1H-indole-6-carboxylateEthyl3-((5-Fluoropyridin-3-yl)methylcarbamoyl)-2-isopropyl-1-(pyridin-2-ylmethyl)-1H-indole-6-carboxylate
Database identifiers
- PubChem CID
- 59762299
- ChEMBL
CHEMBL3655428
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 723
Related reactions
2 records
Compound notes
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