methyl 5-(2,6-dimethoxypyrimidin-4-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

• ChemBase ID: 581526
• Molecular Formular: C14H17N5O4
• Molecular Mass: 319.31588
• Monoisotopic Mass: 319.12805405
• SMILES: c1(nn2c(c1)CN(c1nc(nc(c1)OC)OC)CC2)C(=O)OC
• Canonical SMILES: COc1nc(OC)nc(c1)N1CCn2c(C1)cc(n2)C(=O)OC
• InChI: InChI=1S/C14H17N5O4/c1-21-12-7-11(15-14(16-12)23-3)18-4-5-19-9(8-18)6-10(17-19)13(20)22-2/h6-7H,4-5,8H2,1-3H3
• InChIKey: PHHMIKJRMCWKQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.793503
• LogD (pH = 7.4): 1.8001885
• Log P: 1.8002745
• Molar Refractivity: 93.7281 cm^3
• Polarizability: 30.411135 Å^3
• Polar Surface Area: 91.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.76
• LOG S: -3.88
• Polar Surface Area: 91.6 Å^2
• Rotatable Bonds: 5