Diethyl 5-({[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Basic information
- CAS
326921-33-9- Standard SMILES
CCOC(=O)c1sc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4ccc(OC)cc4)nc3c2Br)c(C(=O)OCC)c1C- InChIKey
IBYBVLCVOCMVGJ-UHFFFAOYSA-N- Molecular formula
- C26H22BrF3N4O6S
- Average molar mass
- 655.4 g/mol
- Monoisotopic mass
- 654.03955
Names & identifiers
- Preferred name
- Diethyl 5-({[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
- IUPAC
- diethyl 5-[[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
- English name
- diethyl 5-({[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
- Molecular formula
- C26H22BrF3N4O6S
- Molecular weight
- 655.4402896
Names & synonyms
diethyl 5-({[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylatediethyl 5-[[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylateIBYBVLCVOCMVGJ-UHFFFAOYSA-Ndiethyl 5-{[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylateSCHEMBL1718103AKOS000561432ST004313AG-219/09028053SR-01000408954SR-01000408954-1326921-33-9diethyl 5-(3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate
Show more names
ethyl 2-{[3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5- a]pyrimidin-2-yl)]carbonylamino}-5-(ethoxycarbonyl)-4-methylthiophene-3-carbox ylate
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 959
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…