2-(3-methoxyphenyl)-1-{5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}azetidine

• ChemBase ID: 387559
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)N1C(CC1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C1CCN1C(=O)c1nn2c(c1)CN(CC2)C
• InChI: InChI=1S/C18H22N4O2/c1-20-8-9-22-14(12-20)11-16(19-22)18(23)21-7-6-17(21)13-4-3-5-15(10-13)24-2/h3-5,10-11,17H,6-9,12H2,1-2H3
• InChIKey: WSBNQJIGXDNZSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)-1-{5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}azetidine
• IUPAC Traditional name: 2-(3-methoxyphenyl)-1-{5-methyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}azetidine
• Synonyms: 2-{[2-(3-methoxyphenyl)azetidin-1-yl]carbonyl}-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8022099
• LogD (pH = 7.4): 1.2786275
• Log P: 1.2898253
• Molar Refractivity: 103.5548 cm^3
• Polarizability: 34.968605 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.24
• LOG S: -2.64
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 3