2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
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Basic information
- CAS
439111-09-8- Standard SMILES
Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc(F)cc3)n2n1- InChIKey
XRSMBRPQRGCNJG-UHFFFAOYSA-N- Molecular formula
- C22H17FN4S
- Average molar mass
- 388.5 g/mol
Names & identifiers
- Preferred name
- 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
- IUPAC
- 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
- English name
- 2-[3-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
- Molecular formula
- C22H17FN4S
- Molecular weight
- 388.46
Names & synonyms
439111-09-82-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine1-{2-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]thiophen-3-yl}-2,5-dimethyl-1H-pyrrole2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidineBionet1_004589HMS582B11AKOS0050990926R-00932-(3-(2,5-Dimethyl-1H-pyrrol-1-yl)thiophen-2-yl)-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidinePyrazolo[1,5-a]pyrimidine, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-(4-fluorophenyl)-
Database identifiers
- CAS
439111-09-8
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 533
Physicochemical properties
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- -0.8 · -0.80±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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