N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carboxamide

• ChemBase ID: 560056
• Molecular Formular: C24H36N6O
• Molecular Mass: 424.58224
• Monoisotopic Mass: 424.2950598
• SMILES: c1(c(nn(c1)C)C)CNC(=O)C1CCN(C2CCN(Cc3nc(ccc3)C)CC2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C1CCN(CC1)Cc1cccc(n1)C)NCc1cn(nc1C)C
• InChI: InChI=1S/C24H36N6O/c1-18-5-4-6-22(26-18)17-29-11-9-23(10-12-29)30-13-7-20(8-14-30)24(31)25-15-21-16-28(3)27-19(21)2/h4-6,16,20,23H,7-15,17H2,1-3H3,(H,25,31)
• InChIKey: POEGBFMEBJGGSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carboxamide
• IUPAC Traditional name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carboxamide
• Synonyms: N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1'-[(6-methyl-2-pyridinyl)methyl]-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.530102
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.3061728
• LogD (pH = 7.4): -1.6929418
• Log P: 0.7101658
• Molar Refractivity: 135.1725 cm^3
• Polarizability: 47.858295 Å^3
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.1
• LOG S: -3.5
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 6