4-(4-methyl-1H-pyrazol-3-yl)-1-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)piperidine

• ChemBase ID: 701010
• Molecular Formular: C18H23N5
• Molecular Mass: 309.40872
• Monoisotopic Mass: 309.19534576
• SMILES: c1(n2c(nc1C)cccc2)CN1CCC(c2n[nH]cc2C)CC1
• Canonical SMILES: Cc1nc2n(c1CN1CCC(CC1)c1n[nH]cc1C)cccc2
• InChI: InChI=1S/C18H23N5/c1-13-11-19-21-18(13)15-6-9-22(10-7-15)12-16-14(2)20-17-5-3-4-8-23(16)17/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,19,21)
• InChIKey: OHVKLNODBLAQPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.384714
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0225078
• LogD (pH = 7.4): 0.91219556
• Log P: 1.9709952
• Molar Refractivity: 94.0644 cm^3
• Polarizability: 34.983585 Å^3
• Polar Surface Area: 49.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.99
• LOG S: -2.15
• Polar Surface Area: 49.22 Å^2
• Rotatable Bonds: 3