N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 789749
• Molecular Formular: C14H14N6O2
• Molecular Mass: 298.29996
• Monoisotopic Mass: 298.11782372
• SMILES: n12c(C(=O)NCCc3nc(cc(n3)O)N)cccc1ccn2
• Canonical SMILES: Nc1nc(CCNC(=O)c2cccc3n2ncc3)nc(c1)O
• InChI: InChI=1S/C14H14N6O2/c15-11-8-13(21)19-12(18-11)5-6-16-14(22)10-3-1-2-9-4-7-17-20(9)10/h1-4,7-8H,5-6H2,(H,16,22)(H3,15,18,19,21)
• InChIKey: OPLUJPXKMRKUEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.07109
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 1.1622232
• LogD (pH = 7.4): 1.1625901
• Log P: 1.162604
• Molar Refractivity: 92.6258 cm^3
• Polarizability: 30.054338 Å^3
• Polar Surface Area: 118.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.31
• LOG S: -2.42
• Polar Surface Area: 118.43 Å^2
• Rotatable Bonds: 4