4-[(6-{pyrazolo[1,5-a]pyridin-7-yl}pyridin-3-yl)methyl]morpholine

• ChemBase ID: 368917
• Molecular Formular: C17H18N4O
• Molecular Mass: 294.35102
• Monoisotopic Mass: 294.14806122
• SMILES: n12c(c3ncc(CN4CCOCC4)cc3)cccc1ccn2
• Canonical SMILES: O1CCN(CC1)Cc1ccc(nc1)c1cccc2n1ncc2
• InChI: InChI=1S/C17H18N4O/c1-2-15-6-7-19-21(15)17(3-1)16-5-4-14(12-18-16)13-20-8-10-22-11-9-20/h1-7,12H,8-11,13H2
• InChIKey: CYFCWPWJHNBWCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(6-{pyrazolo[1,5-a]pyridin-7-yl}pyridin-3-yl)methyl]morpholine
• IUPAC Traditional name: 4-[(6-{pyrazolo[1,5-a]pyridin-7-yl}pyridin-3-yl)methyl]morpholine
• Synonyms: 7-[5-(morpholin-4-ylmethyl)pyridin-2-yl]pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7742826
• LogD (pH = 7.4): 1.8888968
• Log P: 1.9614837
• Molar Refractivity: 96.0799 cm^3
• Polarizability: 34.736526 Å^3
• Polar Surface Area: 42.66 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: 1.05
• LOG S: -1.24
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 3