chempirical

[4-[2-(1H-Indazol-3-yl)ethenyl]phenyl]-1-piperazinylmethanone

C20H20N4OCAS 1000669-72-6332.41 g/mol

Open in Covalent MOL file
NHNONNH
AlkeneAmideSecondary amine

Properties

Molecular formula
C20H20N4O
Molar mass
332.41 g/mol
Exact mass
332.1637 Da
logP
2.78Crippen estimate
Polar surface area
61.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
1000669-72-6
SMILES
C1CN(CCN1)C(=O)C2=CC=C(C=C2)/C=C/C3=NNC4=CC=CC=C43
InChIKey
YYLKKYCXAOBSRM-JXMROGBWSA-N
InChI
InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+

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Work with [4-[2-(1H-Indazol-3-yl)ethenyl]phenyl]-1-piperazinylmethanone

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

Benzoylpiperazine hydrochloride56227-55-547 % similar 1-(2-Furoyl)piperazine40172-95-036 % similar 1-(2-Furanylcarbonyl)piperazine hydrochloride60548-09-634 % similar Benzyl 1,4-diazepane-1-carboxylate117009-97-933 % similar 1-Benzoyl-4-piperidone24686-78-033 % similar 1-(4-Benzoyl-1-piperazinyl)-1-propanone314728-85-333 % similar Ethyl 3-indazolecarboxylate4498-68-433 % similar Indazole-3-carboxylic acid4498-67-332 % similar

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

Elsewhere

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