3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine

• ChemBase ID: 377768
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N1CC(c2n(ccn2)CCOC)CCC1
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1cn2c(n1)cccc2C
• InChI: InChI=1S/C20H25N5O2/c1-15-5-3-7-18-22-17(14-25(15)18)20(26)24-9-4-6-16(13-24)19-21-8-10-23(19)11-12-27-2/h3,5,7-8,10,14,16H,4,6,9,11-13H2,1-2H3
• InChIKey: DOKYNTIEDGFSMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• IUPAC Traditional name: 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidine
• Synonyms: 2-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)-5-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5862644
• LogD (pH = 7.4): 1.2219745
• Log P: 1.2498584
• Molar Refractivity: 104.5638 cm^3
• Polarizability: 38.928226 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: 0.64
• LOG S: -2.43
• Polar Surface Area: 64.66 Å^2
• Rotatable Bonds: 5