N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 478560
• Molecular Formular: C20H20FN5O2
• Molecular Mass: 381.4035032
• Monoisotopic Mass: 381.16010313
• SMILES: c12c(n[nH]c1CCN(C2)C)C(=O)NCc1c(Oc2c(F)cccc2)nccc1
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)NCc1cccnc1Oc1ccccc1F
• InChI: InChI=1S/C20H20FN5O2/c1-26-10-8-16-14(12-26)18(25-24-16)19(27)23-11-13-5-4-9-22-20(13)28-17-7-3-2-6-15(17)21/h2-7,9H,8,10-12H2,1H3,(H,23,27)(H,24,25)
• InChIKey: OBNDTKJNOWSVIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-5-methyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.007754
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5066984
• LogD (pH = 7.4): 1.9559542
• Log P: 2.062418
• Molar Refractivity: 104.4151 cm^3
• Polarizability: 38.618526 Å^3
• Polar Surface Area: 83.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.55
• LOG S: -2.45
• Polar Surface Area: 83.14 Å^2
• Rotatable Bonds: 5