3-[3-(3-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-(propan-2-yl)pyridazine

• ChemBase ID: 485482
• Molecular Formular: C19H19FN4O
• Molecular Mass: 338.3787632
• Monoisotopic Mass: 338.15428947
• SMILES: c12c(noc1CCN(C2)c1nnc(cc1)C(C)C)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)c1noc2c1CN(CC2)c1ccc(nn1)C(C)C
• InChI: InChI=1S/C19H19FN4O/c1-12(2)16-6-7-18(22-21-16)24-9-8-17-15(11-24)19(23-25-17)13-4-3-5-14(20)10-13/h3-7,10,12H,8-9,11H2,1-2H3
• InChIKey: AXEBDCLAPFHRBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(3-fluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-(propan-2-yl)pyridazine
• IUPAC Traditional name: 3-[3-(3-fluorophenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-isopropylpyridazine
• Synonyms: 3-(3-fluorophenyl)-5-(6-isopropylpyridazin-3-yl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8323298
• LogD (pH = 7.4): 3.8489652
• Log P: 3.8491814
• Molar Refractivity: 96.6321 cm^3
• Polarizability: 36.024548 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.52
• LOG S: -3.82
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 3