6-[Difluoro[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline

C₁₉H₁₃F₂N₇CAS 943540-75-8377.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₁₃F₂N₇
Molar mass: 377.36 g/mol
Exact mass: 377.1200 Da
logP: 3.21Crippen estimate
Polar surface area: 73.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Identifiers

CAS number

943540-75-8

SMILES

Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1

InChIKey

JRWCBEOAFGHNNU-UHFFFAOYSA-N

InChI

InChI=1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3

Weigh it out

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

Names and synonyms

2 names

Quinoline, 6-[difluoro[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]-
JNJ 38877605

Work with 6-[Difluoro[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]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-[[6-(1-Methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]quinoline1022150-57-762 % similar 7-(Trifluoromethyl)quinoline325-14-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook