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

C₁₉H₁₈N₄O₃CAS 886230-75-7350.38 g/mol

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Alkene Ether Nitro

Properties

Molecular formula: C₁₉H₁₈N₄O₃
Molar mass: 350.38 g/mol
Exact mass: 350.1379 Da
logP: 4.21Crippen estimate
Polar surface area: 83.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

886230-75-7

SMILES

O=[N+]([O-])c1ccc2c(/C=C/c3ccccn3)nn(C3CCCCO3)c2c1

InChIKey

BKXMYFOISYYOLE-JXMROGBWNA-N

InChI

InChI=1/C19H18N4O3/c24-23(25)15-8-9-16-17(10-7-14-5-1-3-11-20-14)21-22(18(16)13-15)19-6-2-4-12-26-19/h1,3,5,7-11,13,19H,2,4,6,12H2/b10-7+

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Names and synonyms

2 names

1H-Indazole, 6-nitro-3-[(1E)-2-(2-pyridinyl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-
(E)-6-Nitro-3-[2-(pyridin-2-yl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

Work with 6-Nitro-3-[(1E)-2-(2-pyridinyl)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-amine886230-76-869 % similar 2-[(2,4-Dinitrophenyl)methyl]pyridine1151-97-934 % similar 7-Nitroquinoline613-51-433 % similar 6-Nitroquinoline613-50-331 % similar 9-Ethyl-3-nitro-9H-carbazole86-20-431 % similar 2-Nitronaphthalene581-89-530 % similar

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

Same formula

Jak3-in-61443235-95-7

Elsewhere

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