5-{pyrazolo[1,5-a]pyridin-7-yl}-1H-indazole

• ChemBase ID: 446461
• Molecular Formular: C14H10N4
• Molecular Mass: 234.256
• Monoisotopic Mass: 234.09054634
• SMILES: n12c(c3cc4c([nH]nc4)cc3)cccc1ccn2
• Canonical SMILES: c1cc2ccnn2c(c1)c1ccc2c(c1)cn[nH]2
• InChI: InChI=1S/C14H10N4/c1-2-12-6-7-16-18(12)14(3-1)10-4-5-13-11(8-10)9-15-17-13/h1-9H,(H,15,17)
• InChIKey: ULQOUIPWYJONHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{pyrazolo[1,5-a]pyridin-7-yl}-1H-indazole
• IUPAC Traditional name: 5-{pyrazolo[1,5-a]pyridin-7-yl}-1H-indazole
• Synonyms: 5-pyrazolo[1,5-a]pyridin-7-yl-1H-indazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.89058
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3933592
• LogD (pH = 7.4): 2.3934562
• Log P: 2.3934712
• Molar Refractivity: 81.0067 cm^3
• Polarizability: 29.352991 Å^3
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.04
• LOG S: -4.62
• Polar Surface Area: 45.98 Å^2
• Rotatable Bonds: 1