1-(morpholin-4-yl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propan-1-one

• ChemBase ID: 465006
• Molecular Formular: C13H20N4O2
• Molecular Mass: 264.3235
• Monoisotopic Mass: 264.1586259
• SMILES: n12nc(cc1CNCC2)CCC(=O)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)CCc1nn2c(c1)CNCC2
• InChI: InChI=1S/C13H20N4O2/c18-13(16-5-7-19-8-6-16)2-1-11-9-12-10-14-3-4-17(12)15-11/h9,14H,1-8,10H2
• InChIKey: WPGDXVWZRAILAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propan-1-one
• IUPAC Traditional name: 1-(morpholin-4-yl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propan-1-one
• Synonyms: 2-[3-(4-morpholinyl)-3-oxopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.0262601
• LogD (pH = 7.4): -1.3524401
• Log P: -0.91392714
• Molar Refractivity: 82.2928 cm^3
• Polarizability: 27.465729 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.01
• LOG S: -1.58
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 3