Basic information
- CAS
861209-14-5- Standard SMILES
Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccco3)n2n1- InChIKey
PCTDBJOCVVDKHC-UHFFFAOYSA-N- Molecular formula
- C20H16N4OS
- Average molar mass
- 360.4 g/mol
Names & identifiers
- Preferred name
- 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-(2-furyl)pyrazolo[1,5-a]pyrimidine
- IUPAC
- 2-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-7-(furan-2-yl)pyrazolo[1,5-a]pyrimidine
- English name
- 2-[3-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-(2-furyl)pyrazolo[1,5-a]pyrimidine
- Molecular formula
- C20H16N4OS
- Molecular weight
- 360.43
Names & synonyms
861209-14-52-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-(2-furyl)pyrazolo[1,5-a]pyrimidine1-{2-[7-(furan-2-yl)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-(furan-2-yl)pyrazolo[1,5-a]pyrimidineAKOS0050866912T-0008Pyrazolo[1,5-a]pyrimidine, 2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)-2-thienyl]-7-(2-furanyl)-
Database identifiers
- CAS
861209-14-5
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 498
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- -0.58 · -0.58±0.40(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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