3-(1-methyl-1H-imidazol-2-yl)-6-[4-(pyrrolidin-1-ylmethyl)phenoxy]pyridazine

• ChemBase ID: 323579
• Molecular Formular: C19H21N5O
• Molecular Mass: 335.40294
• Monoisotopic Mass: 335.17461032
• SMILES: c1(c2nnc(Oc3ccc(CN4CCCC4)cc3)cc2)n(ccn1)C
• Canonical SMILES: Cn1ccnc1c1ccc(nn1)Oc1ccc(cc1)CN1CCCC1
• InChI: InChI=1S/C19H21N5O/c1-23-13-10-20-19(23)17-8-9-18(22-21-17)25-16-6-4-15(5-7-16)14-24-11-2-3-12-24/h4-10,13H,2-3,11-12,14H2,1H3
• InChIKey: FVQHYYKCJORXAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methyl-1H-imidazol-2-yl)-6-[4-(pyrrolidin-1-ylmethyl)phenoxy]pyridazine
• IUPAC Traditional name: 3-(1-methylimidazol-2-yl)-6-[4-(pyrrolidin-1-ylmethyl)phenoxy]pyridazine
• Synonyms: 3-(1-methyl-1H-imidazol-2-yl)-6-[4-(pyrrolidin-1-ylmethyl)phenoxy]pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.44989628
• LogD (pH = 7.4): 1.1615392
• Log P: 2.733569
• Molar Refractivity: 108.9835 cm^3
• Polarizability: 37.735954 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.61
• LOG S: -2.87
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5