1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine

• ChemBase ID: 503949
• Molecular Formular: C19H25N5
• Molecular Mass: 323.4353
• Monoisotopic Mass: 323.21099583
• SMILES: n12c(nc(c1)CN1C(CCn3nccc3)CCCC1)ccc(c2)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)CN1CCCCC1CCn1cccn1
• InChI: InChI=1S/C19H25N5/c1-16-6-7-19-21-17(15-23(19)13-16)14-22-10-3-2-5-18(22)8-12-24-11-4-9-20-24/h4,6-7,9,11,13,15,18H,2-3,5,8,10,12,14H2,1H3
• InChIKey: FINCENSITASKOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
• IUPAC Traditional name: 1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-[2-(pyrazol-1-yl)ethyl]piperidine
• Synonyms: 6-methyl-2-({2-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinyl}methyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.15079339
• LogD (pH = 7.4): 1.5885961
• Log P: 2.4955134
• Molar Refractivity: 108.6681 cm^3
• Polarizability: 36.903004 Å^3
• Polar Surface Area: 38.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.55
• LOG S: -2.73
• Polar Surface Area: 38.36 Å^2
• Rotatable Bonds: 5