5-({2-[3-(morpholin-4-yl)-3-oxopropyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}methyl)-1,2,4-oxadiazole-3-carboxamide

• ChemBase ID: 735596
• Molecular Formular: C17H23N7O4
• Molecular Mass: 389.40902
• Monoisotopic Mass: 389.18115225
• SMILES: c1(nc(on1)CN1Cc2n(nc(c2)CCC(=O)N2CCOCC2)CC1)C(=O)N
• Canonical SMILES: O=C(N1CCOCC1)CCc1nn2c(c1)CN(CC2)Cc1onc(n1)C(=O)N
• InChI: InChI=1S/C17H23N7O4/c18-16(26)17-19-14(28-21-17)11-22-3-4-24-13(10-22)9-12(20-24)1-2-15(25)23-5-7-27-8-6-23/h9H,1-8,10-11H2,(H2,18,26)
• InChIKey: OKNAXNBWQTXIEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-({2-[3-(morpholin-4-yl)-3-oxopropyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}methyl)-1,2,4-oxadiazole-3-carboxamide
• IUPAC Traditional name: 5-({2-[3-(morpholin-4-yl)-3-oxopropyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-5-yl}methyl)-1,2,4-oxadiazole-3-carboxamide
• Synonyms: 5-{[2-[3-(4-morpholinyl)-3-oxopropyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]methyl}-1,2,4-oxadiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.183388
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -1.4908069
• LogD (pH = 7.4): -1.4787958
• Log P: -1.4786358
• Molar Refractivity: 110.8825 cm^3
• Polarizability: 37.019005 Å^3
• Polar Surface Area: 132.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: -1.52
• LOG S: -2.05
• Polar Surface Area: 132.61 Å^2
• Rotatable Bonds: 6