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Basic information
- Standard SMILES
COC(=O)c1cc2c(CN(C)C)cn(Cc3ccc(F)cc3F)c2cn1- InChIKey
HIFMPNTVFRTRFV-UHFFFAOYSA-N- Molecular formula
- C19H19F2N3O2
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.14453318
Names & identifiers
- Preferred name
- 1h-Pyrrolo[2,3-c]pyridine-5-carboxylic acid,1-[(2,4-difluorophenyl)methyl]-3-[(dimethylamino)methyl]-,methyl ester
- IUPAC
- methyl 1-[(2,4-difluorophenyl)methyl]-3-[(dimethylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
Names & synonyms
1h-pyrrolo[2,3-c]pyridine-5-carboxylic acid,1-[(2,4-difluorophenyl)methyl]-3-[(dimethylamino)methyl]-,methyl ester868551-60-4SCHEMBL4802055HIFMPNTVFRTRFV-UHFFFAOYSA-Nmethyl 1-(2,4-difluorobenzyl)-3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
Database identifiers
- PubChem CID
- 69197020
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 493
Related reactions
2 records
Compound notes
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