5-{1H-pyrazolo[3,4-b]pyridin-1-yl}pyridin-2-amine

• ChemBase ID: 518277
• Molecular Formular: C11H9N5
• Molecular Mass: 211.22266
• Monoisotopic Mass: 211.08579531
• SMILES: n1(ncc2c1nccc2)c1cnc(N)cc1
• Canonical SMILES: Nc1ccc(cn1)n1ncc2c1nccc2
• InChI: InChI=1S/C11H9N5/c12-10-4-3-9(7-14-10)16-11-8(6-15-16)2-1-5-13-11/h1-7H,(H2,12,14)
• InChIKey: NMCCHHSRKFSDCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1H-pyrazolo[3,4-b]pyridin-1-yl}pyridin-2-amine
• IUPAC Traditional name: 5-{pyrazolo[3,4-b]pyridin-1-yl}pyridin-2-amine
• Synonyms: 5-(1H-pyrazolo[3,4-b]pyridin-1-yl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.08363168
• LogD (pH = 7.4): 0.75164896
• Log P: 0.77559096
• Molar Refractivity: 61.4001 cm^3
• Polarizability: 23.59679 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.3
• LOG S: -1.86
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1