Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1nccc2c1ccn2-c1ccc(NC(=O)CC(=O)Nc2ccc(F)cc2)cc1- InChIKey
QKFQNIWOBWKLNI-UHFFFAOYSA-N- Molecular formula
- C27H26FN5O4
- Average molar mass
- 503.5 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 1-(4-(3-(4-fluorophenylamino)-3-oxopropanamido)phenyl)-1H-pyrrolo[3,2-c]pyridin-4-ylcarbamate
- IUPAC
- tert-butyl N-[1-[4-[[3-(4-fluoroanilino)-3-oxopropanoyl]amino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]carbamate
Names & synonyms
SCHEMBL13759620QKFQNIWOBWKLNI-UHFFFAOYSA-Ntert-Butyl 1-(4-(3-(4-fluorophenylamino)-3-oxopropanamido)phenyl)-1H-pyrrolo[3,2-c]pyridin-4-ylcarbamate
Database identifiers
- PubChem CID
- 57763151
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 805
Related reactions
2 records
Compound notes
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