6-{pyrazolo[1,5-a]pyridin-7-yl}pyridine-2-carbonitrile

• ChemBase ID: 567768
• Molecular Formular: C13H8N4
• Molecular Mass: 220.22942
• Monoisotopic Mass: 220.07489628
• SMILES: n12c(c3nc(C#N)ccc3)cccc1ccn2
• Canonical SMILES: N#Cc1cccc(n1)c1cccc2n1ncc2
• InChI: InChI=1S/C13H8N4/c14-9-10-3-1-5-12(16-10)13-6-2-4-11-7-8-15-17(11)13/h1-8H
• InChIKey: AQWFHMQBMJNUEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{pyrazolo[1,5-a]pyridin-7-yl}pyridine-2-carbonitrile
• IUPAC Traditional name: 6-{pyrazolo[1,5-a]pyridin-7-yl}pyridine-2-carbonitrile
• Synonyms: 6-pyrazolo[1,5-a]pyridin-7-yl-2-pyridinecarbonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.480455
• LogD (pH = 7.4): 2.480533
• Log P: 2.4805338
• Molar Refractivity: 73.8123 cm^3
• Polarizability: 25.889095 Å^3
• Polar Surface Area: 53.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.51
• LOG S: -3.22
• Polar Surface Area: 53.98 Å^2
• Rotatable Bonds: 1