N-(1-{1-[1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]piperidin-4-yl}-1H-pyrazol-5-yl)-2-methoxybenzamide

• ChemBase ID: 682433
• Molecular Formular: C24H32N6O2
• Molecular Mass: 436.54988
• Monoisotopic Mass: 436.25867429
• SMILES: c1(n(ncc1)C1CCN(C(Cn2nc(cc2C)C)C)CC1)NC(=O)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1ccnn1C1CCN(CC1)C(Cn1nc(cc1C)C)C
• InChI: InChI=1S/C24H32N6O2/c1-17-15-18(2)29(27-17)16-19(3)28-13-10-20(11-14-28)30-23(9-12-25-30)26-24(31)21-7-5-6-8-22(21)32-4/h5-9,12,15,19-20H,10-11,13-14,16H2,1-4H3,(H,26,31)
• InChIKey: ZGIJMYKYGQNJPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{1-[1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-yl]piperidin-4-yl}-1H-pyrazol-5-yl)-2-methoxybenzamide
• IUPAC Traditional name: N-(2-{1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]piperidin-4-yl}pyrazol-3-yl)-2-methoxybenzamide
• Synonyms: N-(1-{1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.291698
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.59766054
• LogD (pH = 7.4): 1.1089242
• Log P: 2.428504
• Molar Refractivity: 148.8149 cm^3
• Polarizability: 47.564697 Å^3
• Polar Surface Area: 77.21 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.1
• LOG S: -5.63
• Polar Surface Area: 77.21 Å^2
• Rotatable Bonds: 6