5-(oxolane-3-carbonyl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 512195
• Molecular Formular: C18H21N5O3
• Molecular Mass: 355.39104
• Monoisotopic Mass: 355.16443956
• SMILES: c1(nn2c(c1)CN(C(=O)C1COCC1)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(N1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1)C1COCC1
• InChI: InChI=1S/C18H21N5O3/c24-17(20-10-14-3-1-2-5-19-14)16-9-15-11-22(6-7-23(15)21-16)18(25)13-4-8-26-12-13/h1-3,5,9,13H,4,6-8,10-12H2,(H,20,24)
• InChIKey: QYRCSYXZZLPYFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(oxolane-3-carbonyl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(oxolane-3-carbonyl)-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-(pyridin-2-ylmethyl)-5-(tetrahydrofuran-3-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901251
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.5193126
• LogD (pH = 7.4): -0.5015744
• Log P: -0.501343
• Molar Refractivity: 105.2161 cm^3
• Polarizability: 35.74882 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.93
• LOG S: -0.15
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 4