4-[1-(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)ethyl]morpholine

• ChemBase ID: 756826
• Molecular Formular: C19H30N4O2
• Molecular Mass: 346.4671
• Monoisotopic Mass: 346.23687622
• SMILES: c1(C(=O)N2CCC(C(N3CCOCC3)C)CC2)c2n(nc1)CCCC2
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)C(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C19H30N4O2/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/h14-16H,2-13H2,1H3
• InChIKey: JOWIDRDXJJCRBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)ethyl]morpholine
• IUPAC Traditional name: 4-[1-(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)ethyl]morpholine
• Synonyms: 3-({4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5148661
• LogD (pH = 7.4): 0.2585811
• Log P: 1.0776993
• Molar Refractivity: 110.1387 cm^3
• Polarizability: 37.482395 Å^3
• Polar Surface Area: 50.6 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: 0.43
• LOG S: -2.09
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 3