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

• ChemBase ID: 770757
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c1(c2n(c3ccc(CN4CCOCC4)cc3)ccn2)nn2c(c1)CNCC2
• Canonical SMILES: O1CCN(CC1)Cc1ccc(cc1)n1ccnc1c1nn2c(c1)CNCC2
• InChI: InChI=1S/C20H24N6O/c1-3-17(4-2-16(1)15-24-9-11-27-12-10-24)25-7-6-22-20(25)19-13-18-14-21-5-8-26(18)23-19/h1-4,6-7,13,21H,5,8-12,14-15H2
• InChIKey: LFKSPUJXDYCHBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[4-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)phenyl]methyl}morpholine
• IUPAC Traditional name: 4-{[4-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazol-1-yl)phenyl]methyl}morpholine
• Synonyms: 2-{1-[4-(4-morpholinylmethyl)phenyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.4032035
• LogD (pH = 7.4): 0.8341206
• Log P: 1.6046122
• Molar Refractivity: 136.4131 cm^3
• Polarizability: 41.441948 Å^3
• Polar Surface Area: 60.14 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: 0.27
• LOG S: -2.39
• Polar Surface Area: 60.14 Å^2
• Rotatable Bonds: 4