1-{furo[3,2-c]pyridin-4-yl}-4-[(2-methylpyridin-3-yl)oxy]piperidine-4-carboxylic acid

• ChemBase ID: 619605
• Molecular Formular: C19H19N3O4
• Molecular Mass: 353.37186
• Monoisotopic Mass: 353.1375561
• SMILES: c1(c2c(occ2)ccn1)N1CCC(C(=O)O)(Oc2c(nccc2)C)CC1
• Canonical SMILES: OC(=O)C1(CCN(CC1)c1nccc2c1cco2)Oc1cccnc1C
• InChI: InChI=1S/C19H19N3O4/c1-13-15(3-2-8-20-13)26-19(18(23)24)6-10-22(11-7-19)17-14-5-12-25-16(14)4-9-21-17/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,23,24)
• InChIKey: RWVRVJZFKMKPGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{furo[3,2-c]pyridin-4-yl}-4-[(2-methylpyridin-3-yl)oxy]piperidine-4-carboxylic acid
• IUPAC Traditional name: 1-{furo[3,2-c]pyridin-4-yl}-4-[(2-methylpyridin-3-yl)oxy]piperidine-4-carboxylic acid
• Synonyms: 1-furo[3,2-c]pyridin-4-yl-4-[(2-methylpyridin-3-yl)oxy]piperidine-4-carboxylic acid

CALCULATED PROPERTIES

JChem

• Acid pKa: 3.8647478
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.10873285
• LogD (pH = 7.4): -1.0461336
• Log P: -0.010284547
• Molar Refractivity: 94.0275 cm^3
• Polarizability: 36.93401 Å^3
• Polar Surface Area: 88.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.21
• LOG S: -3.27
• Polar Surface Area: 88.69 Å^2
• Rotatable Bonds: 4