(E)-6-Iodo-3-[2-(pyridin-2-yl)vinyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole - CAS 886230-77-9
Catalog: |
BB039035 |
Product Name: |
(E)-6-Iodo-3-[2-(pyridin-2-yl)vinyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole |
CAS: |
886230-77-9 |
Synonyms: |
6-iodo-1-(2-oxanyl)-3-[(E)-2-(2-pyridinyl)ethenyl]indazole; 6-iodo-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole |
IUPAC Name: | 6-iodo-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole |
Description: | (E)-6-Iodo-3-[2-(pyridin-2-yl)vinyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole (CAS# 886230-77-9) is an intermediate used to prepare Axitinib (A794650) as a tyrosine kinase inhibitor. Axitinib is used in cancer therapy. |
Molecular Weight: | 431.27 |
Molecular Formula: | C19H18IN3O |
Canonical SMILES: | C1CCOC(C1)N2C3=C(C=CC(=C3)I)C(=N2)C=CC4=CC=CC=N4 |
InChI: | InChI=1S/C19H18IN3O/c20-14-7-9-16-17(10-8-15-5-1-3-11-21-15)22-23(18(16)13-14)19-6-2-4-12-24-19/h1,3,5,7-11,13,19H,2,4,6,12H2/b10-8+ |
InChI Key: | QXJFRDDGGSSQDX-CSKARUKUSA-N |
Boiling Point: | 561.2 °C at 760 mmHg |
Density: | 1.6 g/cm3 |
LogP: | 4.90540 |
Publication Number | Title | Priority Date |
CN-113350347-A | Novel use of indazole compound | 20200305 |
WO-2021174581-A1 | New use of indazole compound | 20200305 |
CN-112442009-A | Deuterated compounds and their use for treating cancer | 20190830 |
CN-111138426-A | Indazole kinase inhibitor and application thereof | 20181102 |
WO-2020087565-A1 | Indazole kinase inhibitor and use thereof | 20181102 |
Complexity: | 446 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 431.04946 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 431.04946 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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