N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carboxamide

• ChemBase ID: 436410
• Molecular Formular: C24H36N6O
• Molecular Mass: 424.58224
• Monoisotopic Mass: 424.2950598
• SMILES: n1n(c(cc1CNC(=O)C1CCN(C2CCN(Cc3nc(ccc3)C)CC2)CC1)C)C
• Canonical SMILES: Cc1cccc(n1)CN1CCC(CC1)N1CCC(CC1)C(=O)NCc1cc(n(n1)C)C
• InChI: InChI=1S/C24H36N6O/c1-18-5-4-6-21(26-18)17-29-11-9-23(10-12-29)30-13-7-20(8-14-30)24(31)25-16-22-15-19(2)28(3)27-22/h4-6,15,20,23H,7-14,16-17H2,1-3H3,(H,25,31)
• InChIKey: UDRBCEGTTQCLFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carboxamide
• IUPAC Traditional name: N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-{1-[(6-methylpyridin-2-yl)methyl]piperidin-4-yl}piperidine-4-carboxamide
• Synonyms: N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-1'-[(6-methyl-2-pyridinyl)methyl]-1,4'-bipiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.356187
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.1559236
• LogD (pH = 7.4): -1.5432706
• Log P: 0.8598288
• Molar Refractivity: 135.2085 cm^3
• Polarizability: 47.860527 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: 0.15
• LOG S: -3.71
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 6