1-{imidazo[1,2-a]pyridin-2-ylmethyl}-4-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine

• ChemBase ID: 863802
• Molecular Formular: C20H24N8
• Molecular Mass: 376.45816
• Monoisotopic Mass: 376.21239281
• SMILES: c1(n(c(nn1)C1CCN(Cc2nc3n(c2)cccc3)CC1)C)Cn1nccc1
• Canonical SMILES: Cn1c(nnc1C1CCN(CC1)Cc1nc2n(c1)cccc2)Cn1cccn1
• InChI: InChI=1S/C20H24N8/c1-25-19(15-28-10-4-8-21-28)23-24-20(25)16-6-11-26(12-7-16)13-17-14-27-9-3-2-5-18(27)22-17/h2-5,8-10,14,16H,6-7,11-13,15H2,1H3
• InChIKey: CTNVXKMNZPCQRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-a]pyridin-2-ylmethyl}-4-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
• IUPAC Traditional name: 1-{imidazo[1,2-a]pyridin-2-ylmethyl}-4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
• Synonyms: 2-({4-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.4842422
• LogD (pH = 7.4): 0.15620184
• Log P: 0.545439
• Molar Refractivity: 121.1045 cm^3
• Polarizability: 40.50862 Å^3
• Polar Surface Area: 69.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.89
• LOG S: -1.7
• Polar Surface Area: 69.07 Å^2
• Rotatable Bonds: 5