N-{1-[2-(1H-pyrazol-1-yl)phenyl]ethyl}pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 382556
• Molecular Formular: C19H17N5O
• Molecular Mass: 331.37118
• Monoisotopic Mass: 331.14331019
• SMILES: c1(n2c(ccn2)ccc1)C(=O)NC(c1c(n2nccc2)cccc1)C
• Canonical SMILES: CC(c1ccccc1n1cccn1)NC(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C19H17N5O/c1-14(16-7-2-3-8-17(16)23-13-5-11-20-23)22-19(25)18-9-4-6-15-10-12-21-24(15)18/h2-14H,1H3,(H,22,25)
• InChIKey: AVGUMBONOFMIQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[2-(1H-pyrazol-1-yl)phenyl]ethyl}pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-{1-[2-(pyrazol-1-yl)phenyl]ethyl}pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-{1-[2-(1H-pyrazol-1-yl)phenyl]ethyl}pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.738533
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7242556
• LogD (pH = 7.4): 2.7243657
• Log P: 2.7243671
• Molar Refractivity: 107.2236 cm^3
• Polarizability: 37.147198 Å^3
• Polar Surface Area: 64.22 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: 2.65
• LOG S: -3.88
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 4