N-(1-{4-[2-(2-methoxyethyl)piperidine-1-carbonyl]phenyl}-1H-pyrazol-4-yl)pyridine-3-carboxamide

• ChemBase ID: 463214
• Molecular Formular: C24H27N5O3
• Molecular Mass: 433.50288
• Monoisotopic Mass: 433.21138975
• SMILES: n1(ncc(c1)NC(=O)c1cnccc1)c1ccc(C(=O)N2C(CCOC)CCCC2)cc1
• Canonical SMILES: COCCC1CCCCN1C(=O)c1ccc(cc1)n1ncc(c1)NC(=O)c1cccnc1
• InChI: InChI=1S/C24H27N5O3/c1-32-14-11-21-6-2-3-13-28(21)24(31)18-7-9-22(10-8-18)29-17-20(16-26-29)27-23(30)19-5-4-12-25-15-19/h4-5,7-10,12,15-17,21H,2-3,6,11,13-14H2,1H3,(H,27,30)
• InChIKey: DLIYQBPVBWKQFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{4-[2-(2-methoxyethyl)piperidine-1-carbonyl]phenyl}-1H-pyrazol-4-yl)pyridine-3-carboxamide
• IUPAC Traditional name: N-(1-{4-[2-(2-methoxyethyl)piperidine-1-carbonyl]phenyl}pyrazol-4-yl)pyridine-3-carboxamide
• Synonyms: N-[1-(4-{[2-(2-methoxyethyl)-1-piperidinyl]carbonyl}phenyl)-1H-pyrazol-4-yl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.261343
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.1504438
• LogD (pH = 7.4): 2.154336
• Log P: 2.1543865
• Molar Refractivity: 124.3892 cm^3
• Polarizability: 46.64883 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.46
• LOG S: -5.38
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 6