5-(4,6-dimethoxypyrimidin-2-yl)-N-(2-hydroxyethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 587327
• Molecular Formular: C15H20N6O4
• Molecular Mass: 348.3571
• Monoisotopic Mass: 348.15460315
• SMILES: c1(nc(cc(n1)OC)OC)N1Cc2n(nc(c2)C(=O)NCCO)CC1
• Canonical SMILES: OCCNC(=O)c1nn2c(c1)CN(CC2)c1nc(OC)cc(n1)OC
• InChI: InChI=1S/C15H20N6O4/c1-24-12-8-13(25-2)18-15(17-12)20-4-5-21-10(9-20)7-11(19-21)14(23)16-3-6-22/h7-8,22H,3-6,9H2,1-2H3,(H,16,23)
• InChIKey: QXKGJUBIZAFRGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4,6-dimethoxypyrimidin-2-yl)-N-(2-hydroxyethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(4,6-dimethoxypyrimidin-2-yl)-N-(2-hydroxyethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-(4,6-dimethoxypyrimidin-2-yl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.018527
• H Acceptors: 8
• H Donor: 2
• LogD (pH = 5.5): 0.35868752
• LogD (pH = 7.4): 0.38072333
• Log P: 0.3810119
• Molar Refractivity: 101.9702 cm^3
• Polarizability: 33.14483 Å^3
• Polar Surface Area: 114.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: 0.72
• LOG S: -2.35
• Polar Surface Area: 114.63 Å^2
• Rotatable Bonds: 6