6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
Properties
- Molecular formula
- C19H13F2N7
- Molar mass
- 377.36 g/mol
- Exact mass
- 377.1200 Da
- logP
- 3.21Crippen estimate
- Polar surface area
- 73.8 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 3
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
943540-75-8SMILES
Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1InChIKey
JRWCBEOAFGHNNU-UHFFFAOYSA-NInChI
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,1H3Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C19H14F2N7 378.1273[M + Na]+
[M + Na]+ Calcd for C19H13F2N7Na 400.1093[M − H]−
[M − H]− Calcd for C19H12F2N7 376.1128Elemental analysis
Anal. Calcd for C19H13F2N7: C, 60.48; H, 3.47; N, 25.98.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 6-[Difluoro[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-B]pyridazin-3-yl]methyl]quinoline
- 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
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.