Basic information
- Standard SMILES
Fc1cccc(COc2ccc(Nc3ncnn4ccc(CN5CCCNCC5)c34)cc2Cl)c1- InChIKey
HRJCFUJRPZRZAO-UHFFFAOYSA-N- Molecular formula
- C25H26ClFN6O
- Average molar mass
- 481 g/mol
Names & identifiers
- Preferred name
- 5-((1,4-diazepan-1-yl)methyl)-N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
- IUPAC
- N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-(1,4-diazepan-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
Names & synonyms
CHEMBL247709SCHEMBL6099367HRJCFUJRPZRZAO-UHFFFAOYSA-NBDBM50217209[3-chloro-4-(3-fluoro-benzyloxy)-phenyl]-(5-[1,4]diazepan-1-ylmethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl)-amine5-((1,4-diazepan-1-yl)methyl)-N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
Database identifiers
- PubChem CID
- 22055262
- ChEMBL
CHEMBL247709
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 634
Related reactions
1 records
Compound notes
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