2-({3-[3-(6-methylpyridazin-3-yl)phenyl]-1H-pyrazol-1-yl}methyl)quinoline

• ChemBase ID: 319235
• Molecular Formular: C24H19N5
• Molecular Mass: 377.44116
• Monoisotopic Mass: 377.16404563
• SMILES: n1n(ccc1c1cc(c2nnc(cc2)C)ccc1)Cc1nc2c(cc1)cccc2
• Canonical SMILES: Cc1ccc(nn1)c1cccc(c1)c1ccn(n1)Cc1ccc2c(n1)cccc2
• InChI: InChI=1S/C24H19N5/c1-17-9-12-23(27-26-17)19-6-4-7-20(15-19)24-13-14-29(28-24)16-21-11-10-18-5-2-3-8-22(18)25-21/h2-15H,16H2,1H3
• InChIKey: HUJXYIBJCFZJDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({3-[3-(6-methylpyridazin-3-yl)phenyl]-1H-pyrazol-1-yl}methyl)quinoline
• IUPAC Traditional name: 2-({3-[3-(6-methylpyridazin-3-yl)phenyl]pyrazol-1-yl}methyl)quinoline
• Synonyms: 2-({3-[3-(6-methyl-3-pyridazinyl)phenyl]-1H-pyrazol-1-yl}methyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.3491845
• LogD (pH = 7.4): 4.3645854
• Log P: 4.3647847
• Molar Refractivity: 124.7994 cm^3
• Polarizability: 47.200676 Å^3
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.73
• LOG S: -5.14
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 4