3-(methoxymethyl)-5-(5-phenoxyfuran-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 594184
• Molecular Formular: C19H19N3O4
• Molecular Mass: 353.37186
• Monoisotopic Mass: 353.1375561
• SMILES: c12CN(C(=O)c3oc(cc3)Oc3ccccc3)CCc1[nH]nc2COC
• Canonical SMILES: COCc1n[nH]c2c1CN(CC2)C(=O)c1ccc(o1)Oc1ccccc1
• InChI: InChI=1S/C19H19N3O4/c1-24-12-16-14-11-22(10-9-15(14)20-21-16)19(23)17-7-8-18(26-17)25-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H,20,21)
• InChIKey: VTXXOAIORNTQCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methoxymethyl)-5-(5-phenoxyfuran-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 3-(methoxymethyl)-5-(5-phenoxyfuran-2-carbonyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 3-(methoxymethyl)-5-(5-phenoxy-2-furoyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.238061
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6381402
• LogD (pH = 7.4): 1.6381506
• Log P: 1.638157
• Molar Refractivity: 95.4572 cm^3
• Polarizability: 35.9658 Å^3
• Polar Surface Area: 80.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.0
• LOG S: -3.48
• Polar Surface Area: 80.59 Å^2
• Rotatable Bonds: 5