1-{imidazo[1,2-a]pyridine-2-carbonyl}-3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 828187
• Molecular Formular: C20H20N6OS
• Molecular Mass: 392.4774
• Monoisotopic Mass: 392.14193029
• SMILES: c1(nc2n(c1)cccc2)C(=O)N1CC(c2n(Cc3ncsc3)ccn2)CCC1
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)N1CCCC(C1)c1nccn1Cc1ncsc1
• InChI: InChI=1S/C20H20N6OS/c27-20(17-12-24-7-2-1-5-18(24)23-17)26-8-3-4-15(10-26)19-21-6-9-25(19)11-16-13-28-14-22-16/h1-2,5-7,9,12-15H,3-4,8,10-11H2
• InChIKey: OWEDPNUBEMGUSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[1,2-a]pyridine-2-carbonyl}-3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-{imidazo[1,2-a]pyridine-2-carbonyl}-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine
• Synonyms: 2-({3-[1-(1,3-thiazol-4-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): 0.9164674
• LogD (pH = 7.4): 1.5361238
• Log P: 1.5620104
• Molar Refractivity: 107.6694 cm^3
• Polarizability: 40.169876 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: 0.17
• LOG S: -3.52
• Polar Surface Area: 68.32 Å^2
• Rotatable Bonds: 4