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

• ChemBase ID: 832883
• Molecular Formular: C24H33N7O
• Molecular Mass: 435.56512
• Monoisotopic Mass: 435.27465871
• SMILES: c1(c(n2c(n1)cccc2)CN(Cc1[nH]ncc1)C)C(=O)N1CCN(CC1)C1CCCCC1
• Canonical SMILES: CN(Cc1c(nc2n1cccc2)C(=O)N1CCN(CC1)C1CCCCC1)Cc1[nH]ncc1
• InChI: InChI=1S/C24H33N7O/c1-28(17-19-10-11-25-27-19)18-21-23(26-22-9-5-6-12-31(21)22)24(32)30-15-13-29(14-16-30)20-7-3-2-4-8-20/h5-6,9-12,20H,2-4,7-8,13-18H2,1H3,(H,25,27)
• InChIKey: KNYOBVARHUUFIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(4-cyclohexylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}(methyl)(1H-pyrazol-5-ylmethyl)amine
• IUPAC Traditional name: {[2-(4-cyclohexylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}(methyl)(2H-pyrazol-3-ylmethyl)amine
• Synonyms: ({2-[(4-cyclohexyl-1-piperazinyl)carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)methyl(1H-pyrazol-5-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.998295
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.4296275
• LogD (pH = 7.4): 1.2171403
• Log P: 1.8998384
• Molar Refractivity: 128.0982 cm^3
• Polarizability: 48.06024 Å^3
• Polar Surface Area: 72.77 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: 2.26
• LOG S: -2.99
• Polar Surface Area: 72.77 Å^2
• Rotatable Bonds: 6