3-Indazolinone - CAS 7364-25-2
Catalog: |
BB034889 |
Product Name: |
3-Indazolinone |
CAS: |
7364-25-2 |
Synonyms: |
1,2-dihydroindazol-3-one |
IUPAC Name: | 1,2-dihydroindazol-3-one |
Description: | 3-Indazolinone (CAS# 7364-25-2) is a useful research chemical compound. |
Molecular Weight: | 134.14 |
Molecular Formula: | C7H6N2O |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)NN2 |
InChI: | InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10) |
InChI Key: | SWEICGMKXPNXNU-UHFFFAOYSA-N |
Boiling Point: | 193.1 °C at 760 mmHg |
Melting Point: | 248-252 °C |
Purity: | 95 % |
Density: | 1.252 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00044658 |
LogP: | 1.26850 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020131176-A1 | Selective inhibitors of clinically important mutants of the egfr tyrosine kinase | 20170705 |
US-2020055814-A1 | Anti-fibrotic compounds | 20170203 |
WO-2018144620-A1 | Anti-fibrotic compounds | 20170203 |
WO-2018144620-A9 | ANTI-FIBROTIC COMPOUNDS | 20170203 |
US-11014873-B2 | Anti-fibrotic compounds | 20170203 |
PMID | Publication Date | Title | Journal |
22738639 | 20120715 | Contribution of indazolinone tautomers to kinase activity | Bioorganic & medicinal chemistry letters |
21975068 | 20111101 | Chemical synthesis, biological evaluation and structure-activity relationship analysis of azaisoindolinones, a novel class of direct enoyl-ACP reductase inhibitors as potential antimycobacterial agents | Bioorganic & medicinal chemistry |
21557560 | 20110606 | Synthesis and structure of ruthenium(IV) complexes featuring N-heterocyclic ligands with an N-H group as the hydrogen-bond donor: hydrogen interactions in solution and in the solid state | Inorganic chemistry |
21334118 | 20110401 | Synthesis and biological evaluation of indazole derivatives | European journal of medicinal chemistry |
19679481 | 20090901 | Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation | Bioorganic & medicinal chemistry |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.048012819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Indazoles
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