N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

• ChemBase ID: 540182
• Molecular Formular: C17H19N7O2
• Molecular Mass: 353.37846
• Monoisotopic Mass: 353.16002288
• SMILES: n1c(noc1CCC(=O)NCc1nn2c(c1)CNCC2)c1cnccc1
• Canonical SMILES: O=C(NCc1nn2c(c1)CNCC2)CCc1onc(n1)c1cccnc1
• InChI: InChI=1S/C17H19N7O2/c25-15(20-10-13-8-14-11-19-6-7-24(14)22-13)3-4-16-21-17(23-26-16)12-2-1-5-18-9-12/h1-2,5,8-9,19H,3-4,6-7,10-11H2,(H,20,25)
• InChIKey: QPJHLNRLLDEUOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
• IUPAC Traditional name: N-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}-3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
• Synonyms: 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.680715
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.292661
• LogD (pH = 7.4): -0.6108614
• Log P: -0.18407235
• Molar Refractivity: 116.1315 cm^3
• Polarizability: 36.071075 Å^3
• Polar Surface Area: 110.76 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: -0.87
• LOG S: -2.34
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 6