chempirical

6-[[6-(1-Methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-B]pyridazin-3-yl]thio]quinoline

C18H13N7SCAS 1022150-57-7359.41 g/mol

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NNNSNNNN
Sulfide

Properties

Molecular formula
C18H13N7S
Molar mass
359.41 g/mol
Exact mass
359.0953 Da
logP
3.22Crippen estimate
Polar surface area
73.8 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
3

Identifiers

CAS number
1022150-57-7
SMILES
Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1
InChIKey
BCZUAADEACICHN-UHFFFAOYSA-N
InChI
InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3

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Names and synonyms

2 names
  • Quinoline, 6-[[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]-
  • SGX 523

Work with 6-[[6-(1-Methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-B]pyridazin-3-yl]thio]quinoline

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

6-[Difluoro[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-B]pyridazin-3-yl]methyl]quinoline943540-75-862 % similar 6-Methylquinoline91-62-331 % similar

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

Elsewhere

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