N-{[5-(pyridin-2-yl)thiophen-2-yl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 562857
• Molecular Formular: C18H14N4OS
• Molecular Mass: 334.39496
• Monoisotopic Mass: 334.08883209
• SMILES: n12c(C(=O)NCc3sc(cc3)c3ncccc3)cccc1ccn2
• Canonical SMILES: O=C(c1cccc2n1ncc2)NCc1ccc(s1)c1ccccn1
• InChI: InChI=1S/C18H14N4OS/c23-18(16-6-3-4-13-9-11-21-22(13)16)20-12-14-7-8-17(24-14)15-5-1-2-10-19-15/h1-11H,12H2,(H,20,23)
• InChIKey: JTTFWLRAKYEOLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(pyridin-2-yl)thiophen-2-yl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-{[5-(pyridin-2-yl)thiophen-2-yl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[(5-pyridin-2-yl-2-thienyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.501185
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9441593
• LogD (pH = 7.4): 2.9469287
• Log P: 2.9469643
• Molar Refractivity: 103.7244 cm^3
• Polarizability: 36.942505 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.64
• LOG S: -3.89
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 4