N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-[3-(1H-pyrazol-1-yl)phenyl]piperidin-4-amine

• ChemBase ID: 542834
• Molecular Formular: C23H26N6
• Molecular Mass: 386.49274
• Monoisotopic Mass: 386.22189486
• SMILES: n12c(nc(c1)CCNC1CCN(c3cc(n4nccc4)ccc3)CC1)cccc2
• Canonical SMILES: C(Cc1nc2n(c1)cccc2)NC1CCN(CC1)c1cccc(c1)n1cccn1
• InChI: InChI=1S/C23H26N6/c1-2-13-28-18-20(26-23(28)7-1)8-12-24-19-9-15-27(16-10-19)21-5-3-6-22(17-21)29-14-4-11-25-29/h1-7,11,13-14,17-19,24H,8-10,12,15-16H2
• InChIKey: VQDRPFWZENZEFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-[3-(1H-pyrazol-1-yl)phenyl]piperidin-4-amine
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-[3-(pyrazol-1-yl)phenyl]piperidin-4-amine
• Synonyms: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-[3-(1H-pyrazol-1-yl)phenyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.071221
• LogD (pH = 7.4): 0.17502125
• Log P: 2.6401277
• Molar Refractivity: 117.6729 cm^3
• Polarizability: 44.733658 Å^3
• Polar Surface Area: 50.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.89
• LOG S: -3.48
• Polar Surface Area: 50.39 Å^2
• Rotatable Bonds: 6