4-[(3-{pyrazolo[1,5-a]pyridin-3-yl}phenyl)methyl]morpholine

• ChemBase ID: 644121
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: c1(c2n(nc1)cccc2)c1cc(CN2CCOCC2)ccc1
• Canonical SMILES: O1CCN(CC1)Cc1cccc(c1)c1cnn2c1cccc2
• InChI: InChI=1S/C18H19N3O/c1-2-7-21-18(6-1)17(13-19-21)16-5-3-4-15(12-16)14-20-8-10-22-11-9-20/h1-7,12-13H,8-11,14H2
• InChIKey: NBTIBRZLGOBDQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3-{pyrazolo[1,5-a]pyridin-3-yl}phenyl)methyl]morpholine
• IUPAC Traditional name: 4-[(3-{pyrazolo[1,5-a]pyridin-3-yl}phenyl)methyl]morpholine
• Synonyms: 3-[3-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1840861
• LogD (pH = 7.4): 2.6659431
• Log P: 2.8733046
• Molar Refractivity: 98.7313 cm^3
• Polarizability: 35.673996 Å^3
• Polar Surface Area: 29.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.39
• LOG S: -2.37
• Polar Surface Area: 29.77 Å^2
• Rotatable Bonds: 3