1-(2-Chloro-4-pyrimidyl)-3-methylpyrazole-4-carbaldehyde - CAS 1448307-66-1
Catalog: |
BB009837 |
Product Name: |
1-(2-Chloro-4-pyrimidyl)-3-methylpyrazole-4-carbaldehyde |
CAS: |
1448307-66-1 |
Synonyms: |
1-(2-chloro-4-pyrimidinyl)-3-methyl-4-pyrazolecarboxaldehyde; 1-(2-chloropyrimidin-4-yl)-3-methylpyrazole-4-carbaldehyde |
IUPAC Name: | 1-(2-chloropyrimidin-4-yl)-3-methylpyrazole-4-carbaldehyde |
Description: | 1-(2-Chloro-4-pyrimidyl)-3-methylpyrazole-4-carbaldehyde (CAS# 1448307-66-1) is a useful research chemical. |
Molecular Weight: | 222.63 |
Molecular Formula: | C9H7ClN4O |
Canonical SMILES: | CC1=NN(C=C1C=O)C2=NC(=NC=C2)Cl |
InChI: | InChI=1S/C9H7ClN4O/c1-6-7(5-15)4-14(13-6)8-2-3-11-9(10)12-8/h2-5H,1H3 |
InChI Key: | NGEXODJJSQPXEC-UHFFFAOYSA-N |
LogP: | 1.43660 |
Publication Number | Title | Priority Date |
EP-3634423-A1 | Thienopyranones and furanopyranones as checkpoint inhibitors and modulatiors of anti-tumor immunity | 20170606 |
US-2020181164-A1 | Thienopyranones and Furanopyranones as Checkpoint Inhibitors and Modulators of Anti-Tumor Immunity | 20170606 |
WO-2018226739-A1 | Thienopyranones and furanopyranones as checkpoint inhibitors and modulatiors of anti-tumor immunity | 20170606 |
CN-106795144-B | Compounds and compositions for modulating EGFR mutant kinase activity | 20141013 |
EP-3207035-A2 | Compounds and compositions for modulating egfr mutant kinase activities | 20141013 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0308386 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0308386 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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