[5-(6,6-Difluoro-[1,4]diazepan-1-ylmethyl)-pyrrolo[2,1-f][1,2,4]triazin-4-yl]-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine
Basic information
- Standard SMILES
Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCNCC(F)(F)C6)c45)ccc32)c1- InChIKey
UCVZRVMUEPIMEJ-UHFFFAOYSA-N- Molecular formula
- C26H25F3N8
- Average molar mass
- 506.5 g/mol
Names & identifiers
- Preferred name
- [5-(6,6-Difluoro-[1,4]diazepan-1-ylmethyl)-pyrrolo[2,1-f][1,2,4]triazin-4-yl]-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amine
- IUPAC
- 5-[(6,6-difluoro-1,4-diazepan-1-yl)methyl]-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
Names & synonyms
[5-(6,6-Difluoro-[1,4]diazepan-1-ylmethyl)-pyrrolo[2,1-f][1,2,4]triazin-4-yl]-[1-(3-fluoro-benzyl)-1H-indazol-5-yl]-amineSCHEMBL2446140
Database identifiers
- PubChem CID
- 10164310
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 761
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Related reactions
2 records
Compound notes
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