2-(6-methoxynaphthalen-2-yl)-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}morpholine

• ChemBase ID: 822933
• Molecular Formular: C22H26N4O2
• Molecular Mass: 378.46744
• Monoisotopic Mass: 378.20557609
• SMILES: n1n2c(cc1CN1CC(c3cc4c(cc(cc4)OC)cc3)OCC1)CNCC2
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)Cc1nn2c(c1)CNCC2
• InChI: InChI=1S/C22H26N4O2/c1-27-21-5-4-16-10-18(3-2-17(16)11-21)22-15-25(8-9-28-22)14-19-12-20-13-23-6-7-26(20)24-19/h2-5,10-12,22-23H,6-9,13-15H2,1H3
• InChIKey: LNLVOKGIPTWDQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}morpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}morpholine
• Synonyms: 2-{[2-(6-methoxy-2-naphthyl)-4-morpholinyl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.48223493
• LogD (pH = 7.4): 1.6886497
• Log P: 2.1283448
• Molar Refractivity: 120.4091 cm^3
• Polarizability: 43.69589 Å^3
• Polar Surface Area: 51.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.41
• LOG S: -2.15
• Polar Surface Area: 51.55 Å^2
• Rotatable Bonds: 4