N-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 377658
• Molecular Formular: C20H14F2N4O2
• Molecular Mass: 380.3475664
• Monoisotopic Mass: 380.10848215
• SMILES: c1(c2n(nc1)cccc2)C(=O)NCc1c(Oc2cc(c(cc2)F)F)nccc1
• Canonical SMILES: O=C(c1cnn2c1cccc2)NCc1cccnc1Oc1ccc(c(c1)F)F
• InChI: InChI=1S/C20H14F2N4O2/c21-16-7-6-14(10-17(16)22)28-20-13(4-3-8-23-20)11-24-19(27)15-12-25-26-9-2-1-5-18(15)26/h1-10,12H,11H2,(H,24,27)
• InChIKey: PRPSOOARNPKWMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-{[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.451393
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4643729
• LogD (pH = 7.4): 3.4644473
• Log P: 3.4644487
• Molar Refractivity: 109.3958 cm^3
• Polarizability: 37.026474 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.96
• LOG S: -4.5
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 5