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

• ChemBase ID: 847862
• Molecular Formular: C18H23N5O2
• Molecular Mass: 341.40752
• Monoisotopic Mass: 341.185175
• SMILES: c1(nn2c(c1)CN(CC1COCC1)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)CC1COCC1)NCc1ccccn1
• InChI: InChI=1S/C18H23N5O2/c24-18(20-10-15-3-1-2-5-19-15)17-9-16-12-22(6-7-23(16)21-17)11-14-4-8-25-13-14/h1-3,5,9,14H,4,6-8,10-13H2,(H,20,24)
• InChIKey: WWSJEUJXEBEJIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.902686
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0945352
• LogD (pH = 7.4): 0.07712092
• Log P: 0.15819299
• Molar Refractivity: 105.5429 cm^3
• Polarizability: 35.941307 Å^3
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.22
• LOG S: -0.66
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 5