2-{[2-(1-{imidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)-1H-imidazol-1-yl]methyl}pyridine

• ChemBase ID: 740868
• Molecular Formular: C22H22N6O
• Molecular Mass: 386.44968
• Monoisotopic Mass: 386.18550935
• SMILES: c1(nc2n(c1)cccc2)C(=O)N1CCC(c2n(ccn2)Cc2ncccc2)CC1
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)N1CCC(CC1)c1nccn1Cc1ccccn1
• InChI: InChI=1S/C22H22N6O/c29-22(19-16-27-11-4-2-6-20(27)25-19)26-12-7-17(8-13-26)21-24-10-14-28(21)15-18-5-1-3-9-23-18/h1-6,9-11,14,16-17H,7-8,12-13,15H2
• InChIKey: DXCFRPMWHNIJOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(1-{imidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)-1H-imidazol-1-yl]methyl}pyridine
• IUPAC Traditional name: 2-{[2-(1-{imidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)imidazol-1-yl]methyl}pyridine
• Synonyms: 2-({4-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.77099544
• LogD (pH = 7.4): 1.5006796
• Log P: 1.5296377
• Molar Refractivity: 110.4581 cm^3
• Polarizability: 41.47261 Å^3
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.41
• LOG S: -1.07
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 4