1-Naphthalenyl(1-pentyl-1H-indazol-3-yl)methanone

C₂₃H₂₂N₂OCAS 1364933-55-0342.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₃H₂₂N₂O
Molar mass: 342.44 g/mol
Exact mass: 342.1732 Da
logP: 5.61Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

1364933-55-0

SMILES

CCCCCn1nc(C(=O)c2cccc3ccccc23)c2ccccc21

InChIKey

VAKGBPSFDNTMDJ-UHFFFAOYSA-N

InChI

InChI=1S/C23H22N2O/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24-25)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Methanone, 1-naphthalenyl(1-pentyl-1H-indazol-3-yl)-
THJ 018

Work with 1-Naphthalenyl(1-pentyl-1H-indazol-3-yl)methanone

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

1-Benzoylnaphthalene642-29-541 % similar 1-(4-Cyanobutyl)-N-(1-methyl-1-phenylethyl)-1H-indazole-3-carboxamide1631074-54-840 % similar 3-Naphthoylindole109555-87-539 % similar 2-Pentyl-9,10-anthracenedione13936-21-536 % similar Red I 6B50292-95-036 % similar 1-Acetylnaphthalene941-98-036 % similar 2-Methyl-1-octyl-1H-indole42951-39-336 % similar Lonidamine50264-69-235 % similar

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

Elsewhere

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