5-{pyrazolo[1,5-a]pyridin-7-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 604976
• Molecular Formular: C11H8N4O2
• Molecular Mass: 228.20682
• Monoisotopic Mass: 228.06472552
• SMILES: c1(c2n3c(ccn3)ccc2)c(=O)[nH]c(=O)[nH]c1
• Canonical SMILES: O=c1[nH]c(=O)[nH]cc1c1cccc2n1ncc2
• InChI: InChI=1S/C11H8N4O2/c16-10-8(6-12-11(17)14-10)9-3-1-2-7-4-5-13-15(7)9/h1-6H,(H2,12,14,16,17)
• InChIKey: RQLKGOAWOFIXGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{pyrazolo[1,5-a]pyridin-7-yl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 5-{pyrazolo[1,5-a]pyridin-7-yl}-1,3-dihydropyrimidine-2,4-dione
• Synonyms: 5-pyrazolo[1,5-a]pyridin-7-yl-2,4(1H,3H)-pyrimidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.585305
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.2626209
• LogD (pH = 7.4): 0.2599411
• Log P: 0.2627351
• Molar Refractivity: 70.2188 cm^3
• Polarizability: 22.853191 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.95
• LOG S: -1.68
• Polar Surface Area: 83.02 Å^2
• Rotatable Bonds: 1