4-{1-[6-(1-methyl-1H-pyrazol-4-yl)pyridine-3-carbonyl]piperidin-4-yl}morpholine

• ChemBase ID: 730892
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: c1(cn(nc1)C)c1ncc(C(=O)N2CCC(N3CCOCC3)CC2)cc1
• Canonical SMILES: Cn1ncc(c1)c1ccc(cn1)C(=O)N1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C19H25N5O2/c1-22-14-16(13-21-22)18-3-2-15(12-20-18)19(25)24-6-4-17(5-7-24)23-8-10-26-11-9-23/h2-3,12-14,17H,4-11H2,1H3
• InChIKey: BGXXQKWVTAKIOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[6-(1-methyl-1H-pyrazol-4-yl)pyridine-3-carbonyl]piperidin-4-yl}morpholine
• IUPAC Traditional name: 4-{1-[6-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]piperidin-4-yl}morpholine
• Synonyms: 4-(1-{[6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl]carbonyl}piperidin-4-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.5375189
• LogD (pH = 7.4): 0.039488614
• Log P: 0.32280722
• Molar Refractivity: 110.9661 cm^3
• Polarizability: 39.12305 Å^3
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.85
• LOG S: -2.38
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 3