Basic information
- Standard SMILES
CCOC(=O)c1c(C)[nH]c2c(-c3ccc(F)cc3OCC3CC3)ccnc12- InChIKey
IOHUDZKISLLDFP-UHFFFAOYSA-N- Molecular formula
- C21H21FN2O3
- Average molar mass
- 368.4 g/mol
Names & identifiers
- Preferred name
- ethyl 7-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
- IUPAC
- ethyl 7-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
Names & synonyms
SCHEMBL9106956IOHUDZKISLLDFP-UHFFFAOYSA-Nethyl 7-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
Database identifiers
- PubChem CID
- 67775352
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Related reactions
2 records
Compound notes
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