5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Basic information
- CAS
503541-51-3- Standard SMILES
COc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc5c(c4)OCCO5)nc23)cc1OC- InChIKey
MRELFMFLKRERMT-UHFFFAOYSA-N- Molecular formula
- C24H19F3N4O5
- Average molar mass
- 500.4 g/mol
- Monoisotopic mass
- 500.13075421
Names & identifiers
- Preferred name
- 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
- IUPAC
- 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
- English name
- 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
- Molecular formula
- C24H19F3N4O5
- Molecular weight
- 500.4266696
Names & synonyms
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamideAG-219/14174251
Database identifiers
- CAS
503541-51-3- PubChem CID
- 1046550
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 777
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Compound notes
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