Ethyl 5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylate - CAS 1224944-77-7
Catalog: |
BB005410 |
Product Name: |
Ethyl 5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylate |
CAS: |
1224944-77-7 |
Synonyms: |
5-chloro-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester; ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate |
IUPAC Name: | ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate |
Description: | Ethyl 5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS# 1224944-77-7) is used in preparation of antitumor pyrazolopyrimidine compound and it intermediates. |
Molecular Weight: | 225.63 |
Molecular Formula: | C9H8ClN3O2 |
Canonical SMILES: | CCOC(=O)C1=C2N=C(C=CN2N=C1)Cl |
InChI: | InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13/h3-5H,2H2,1H3 |
InChI Key: | UOZKVCQDLXBWBG-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD12407819 |
LogP: | 1.55940 |
Publication Number | Title | Priority Date |
WO-2021206955-A1 | Macrocyclic compounds as kinases inhibitors and uses thereof | 20200406 |
WO-2021158634-A1 | Irak degraders and uses thereof | 20200203 |
US-2021228562-A1 | Irak degraders and uses thereof | 20191217 |
CN-112979679-A | Fluoroheterocyclic derivative having macrocyclic structure and use thereof | 20191213 |
WO-2021115401-A1 | Fluorine-containing heterocyclic derivatives with macrocyclic structure and use thereof | 20191213 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.0305042 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.0305042 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 56.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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