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

• ChemBase ID: 469040
• Molecular Formular: C15H11N3
• Molecular Mass: 233.26794
• Monoisotopic Mass: 233.09529737
• SMILES: n12c(c3cc4[nH]ccc4cc3)cccc1ccn2
• Canonical SMILES: c1[nH]c2c(c1)ccc(c2)c1cccc2n1ncc2
• InChI: InChI=1S/C15H11N3/c1-2-13-7-9-17-18(13)15(3-1)12-5-4-11-6-8-16-14(11)10-12/h1-10,16H
• InChIKey: QTJXFHWQEFOKFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{pyrazolo[1,5-a]pyridin-7-yl}-1H-indole
• IUPAC Traditional name: 6-{pyrazolo[1,5-a]pyridin-7-yl}-1H-indole
• Synonyms: 7-(1H-indol-6-yl)pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.185204
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1690788
• LogD (pH = 7.4): 3.1691704
• Log P: 3.1691716
• Molar Refractivity: 82.0781 cm^3
• Polarizability: 30.322212 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.36
• LOG S: -4.88
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 1