5-{pyrazolo[1,5-a]pyridin-7-yl}pyrimidin-2-amine

• ChemBase ID: 588003
• Molecular Formular: C11H9N5
• Molecular Mass: 211.22266
• Monoisotopic Mass: 211.08579531
• SMILES: n12c(c3cnc(nc3)N)cccc1ccn2
• Canonical SMILES: Nc1ncc(cn1)c1cccc2n1ncc2
• InChI: InChI=1S/C11H9N5/c12-11-13-6-8(7-14-11)10-3-1-2-9-4-5-15-16(9)10/h1-7H,(H2,12,13,14)
• InChIKey: UJIMNGAQRSZYMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{pyrazolo[1,5-a]pyridin-7-yl}pyrimidin-2-amine
• IUPAC Traditional name: 5-{pyrazolo[1,5-a]pyridin-7-yl}pyrimidin-2-amine
• Synonyms: 5-pyrazolo[1,5-a]pyridin-7-yl-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.516565
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.99583167
• LogD (pH = 7.4): 0.9967475
• Log P: 0.9967592
• Molar Refractivity: 72.3023 cm^3
• Polarizability: 24.265633 Å^3
• Polar Surface Area: 69.1 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: 1.2
• LOG S: -1.77
• Polar Surface Area: 69.1 Å^2
• Rotatable Bonds: 1