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

• ChemBase ID: 836669
• Molecular Formular: C15H15N5O2
• Molecular Mass: 297.3119
• Monoisotopic Mass: 297.12257475
• SMILES: n12c(C(=O)NCCc3nc(nc(c3)O)C)cccc1ccn2
• Canonical SMILES: Oc1cc(CCNC(=O)c2cccc3n2ncc3)nc(n1)C
• InChI: InChI=1S/C15H15N5O2/c1-10-18-11(9-14(21)19-10)5-7-16-15(22)13-4-2-3-12-6-8-17-20(12)13/h2-4,6,8-9H,5,7H2,1H3,(H,16,22)(H,18,19,21)
• InChIKey: IOXCDPQKWMIUMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.007839
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5176016
• LogD (pH = 7.4): 1.5176584
• Log P: 1.5176697
• Molar Refractivity: 92.2034 cm^3
• Polarizability: 30.664228 Å^3
• Polar Surface Area: 92.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.73
• LOG S: -2.06
• Polar Surface Area: 92.41 Å^2
• Rotatable Bonds: 4