6-{pyrazolo[1,5-a]pyridin-7-yl}pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

• ChemBase ID: 625837
• Molecular Formular: C14H9N5O2
• Molecular Mass: 279.25356
• Monoisotopic Mass: 279.07562455
• SMILES: n12c(cc(n1)C(=O)O)ncc(c1n3c(ccn3)ccc1)c2
• Canonical SMILES: OC(=O)c1nn2c(c1)ncc(c2)c1cccc2n1ncc2
• InChI: InChI=1S/C14H9N5O2/c20-14(21)11-6-13-15-7-9(8-18(13)17-11)12-3-1-2-10-4-5-16-19(10)12/h1-8H,(H,20,21)
• InChIKey: HLDWPWDBFPLZFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{pyrazolo[1,5-a]pyridin-7-yl}pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
• IUPAC Traditional name: 6-{pyrazolo[1,5-a]pyridin-7-yl}pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
• Synonyms: 6-pyrazolo[1,5-a]pyridin-7-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CALCULATED PROPERTIES

JChem

• Acid pKa: 3.1539242
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.5454709
• LogD (pH = 7.4): -1.6627666
• Log P: 1.5500828
• Molar Refractivity: 95.5914 cm^3
• Polarizability: 29.292747 Å^3
• Polar Surface Area: 84.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.09
• LOG S: -2.17
• Polar Surface Area: 84.79 Å^2
• Rotatable Bonds: 2