(E)-6-Iodo-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

C₁₉H₁₈IN₃OCAS 886230-77-9431.28 g/mol

Open in Covalent MOL file

Alkene Aryl halide Ether

Properties

Molecular formula: C₁₉H₁₈IN₃O
Molar mass: 431.28 g/mol
Exact mass: 431.0495 Da
logP: 4.91Crippen estimate
Polar surface area: 39.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

886230-77-9

SMILES

C1CCOC(C1)N2C3=C(C=CC(=C3)I)C(=N2)/C=C/C4=CC=CC=N4

InChIKey

QXJFRDDGGSSQDX-CSKARUKUSA-N

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+

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Names and synonyms

1 names

(E)-6-Iodo-3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

Work with (E)-6-Iodo-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-[(1E)-2-(2-Pyridinyl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine886230-76-876 % similar 6-Nitro-3-[(1E)-2-(2-pyridinyl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole886230-75-769 % similar 2,2′-(1,2-Ethenediyl)bis[pyridine]1437-15-633 % similar 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester903550-26-532 % similar 3-Bromo-1-(oxan-2-yl)-1H-pyrazole1044270-96-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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