4-[1-(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)ethyl]morpholine

• ChemBase ID: 666097
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c1(c2n(nc1)cccc2)C(=O)N1CCC(C(N2CCOCC2)C)CC1
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C19H26N4O2/c1-15(21-10-12-25-13-11-21)16-5-8-22(9-6-16)19(24)17-14-20-23-7-3-2-4-18(17)23/h2-4,7,14-16H,5-6,8-13H2,1H3
• InChIKey: BZQJFWGUZKOYQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)ethyl]morpholine
• IUPAC Traditional name: 4-[1-(1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)ethyl]morpholine
• Synonyms: 3-({4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}carbonyl)pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1058811
• LogD (pH = 7.4): 0.66753906
• Log P: 1.4866569
• Molar Refractivity: 108.6121 cm^3
• Polarizability: 37.807262 Å^3
• Polar Surface Area: 50.08 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: 0.46
• LOG S: -2.09
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3