5-amino-N-(5-(4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
Basic information
- Standard SMILES
Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC(N)C(F)CC1- InChIKey
NHXVGMQFCYBLTL-UHFFFAOYSA-N- Molecular formula
- C20H22F3N7OS
- Average molar mass
- 465.5 g/mol
Names & identifiers
- Preferred name
- 5-amino-N-(5-(4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
- IUPAC
- 5-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
Names & synonyms
SCHEMBL14800381NHXVGMQFCYBLTL-UHFFFAOYSA-NSB191451428577-27-85-amino-N-(5-(4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
Database identifiers
- PubChem CID
- 76794440
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 657
Related reactions
1 records
Compound notes
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