4-{[3-(3-{furo[3,2-c]pyridin-4-yl}phenyl)-1H-pyrazol-1-yl]methyl}-1,3-thiazole

• ChemBase ID: 347939
• Molecular Formular: C20H14N4OS
• Molecular Mass: 358.41636
• Monoisotopic Mass: 358.08883209
• SMILES: n1n(ccc1c1cc(c2c3c(occ3)ccn2)ccc1)Cc1ncsc1
• Canonical SMILES: s1cnc(c1)Cn1ccc(n1)c1cccc(c1)c1nccc2c1cco2
• InChI: InChI=1S/C20H14N4OS/c1-2-14(18-5-8-24(23-18)11-16-12-26-13-22-16)10-15(3-1)20-17-6-9-25-19(17)4-7-21-20/h1-10,12-13H,11H2
• InChIKey: MEIQXWYDEBLFKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[3-(3-{furo[3,2-c]pyridin-4-yl}phenyl)-1H-pyrazol-1-yl]methyl}-1,3-thiazole
• IUPAC Traditional name: 4-{[3-(3-{furo[3,2-c]pyridin-4-yl}phenyl)pyrazol-1-yl]methyl}-1,3-thiazole
• Synonyms: 4-{3-[1-(1,3-thiazol-4-ylmethyl)-1H-pyrazol-3-yl]phenyl}furo[3,2-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8685615
• LogD (pH = 7.4): 3.8733842
• Log P: 3.873446
• Molar Refractivity: 110.4728 cm^3
• Polarizability: 41.704315 Å^3
• Polar Surface Area: 56.74 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: 3.63
• LOG S: -4.91
• Polar Surface Area: 56.74 Å^2
• Rotatable Bonds: 4