4-[3-(3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-methyl-1,3-oxazole

• ChemBase ID: 642628
• Molecular Formular: C18H18N4O3
• Molecular Mass: 338.36052
• Monoisotopic Mass: 338.13789046
• SMILES: c12c(n[nH]c2CCN(C(=O)c2ncoc2C)C1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1n[nH]c2c1CN(CC2)C(=O)c1ncoc1C
• InChI: InChI=1S/C18H18N4O3/c1-11-16(19-10-25-11)18(23)22-7-6-15-14(9-22)17(21-20-15)12-4-3-5-13(8-12)24-2/h3-5,8,10H,6-7,9H2,1-2H3,(H,20,21)
• InChIKey: VIHJEOHSTMWVBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-methyl-1,3-oxazole
• IUPAC Traditional name: 4-[3-(3-methoxyphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-methyl-1,3-oxazole
• Synonyms: 3-(3-methoxyphenyl)-5-[(5-methyl-1,3-oxazol-4-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.022634
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4337089
• LogD (pH = 7.4): 1.4337898
• Log P: 1.4337909
• Molar Refractivity: 93.2418 cm^3
• Polarizability: 35.58009 Å^3
• Polar Surface Area: 84.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.42
• LOG S: -2.87
• Polar Surface Area: 84.25 Å^2
• Rotatable Bonds: 3