1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

• ChemBase ID: 315942
• Molecular Formular: C21H27N5O2
• Molecular Mass: 381.47138
• Monoisotopic Mass: 381.21647513
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)N1CC(c2n(ccn2)CCOC)CCC1
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1c(C)nc2n1ccc(c2)C
• InChI: InChI=1S/C21H27N5O2/c1-15-6-9-26-18(13-15)23-16(2)19(26)21(27)25-8-4-5-17(14-25)20-22-7-10-24(20)11-12-28-3/h6-7,9-10,13,17H,4-5,8,11-12,14H2,1-3H3
• InChIKey: XWRRYHPUILECCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
• IUPAC Traditional name: 1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
• Synonyms: 3-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)-2,7-dimethylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4998141
• LogD (pH = 7.4): 1.2004462
• Log P: 1.2292395
• Molar Refractivity: 109.2963 cm^3
• Polarizability: 40.690197 Å^3
• Polar Surface Area: 64.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.38
• LOG S: -3.16
• Polar Surface Area: 64.66 Å^2
• Rotatable Bonds: 5