4-{2-cyclobutyl-3H-imidazo[4,5-b]pyridin-3-yl}-1-[5-(4-methoxyphenyl)furan-2-carbonyl]piperidine

• ChemBase ID: 321488
• Molecular Formular: C27H28N4O3
• Molecular Mass: 456.53622
• Monoisotopic Mass: 456.21614078
• SMILES: c1(n(c2c(n1)cccn2)C1CCN(C(=O)c2oc(cc2)c2ccc(cc2)OC)CC1)C1CCC1
• Canonical SMILES: COc1ccc(cc1)c1ccc(o1)C(=O)N1CCC(CC1)n1c(nc2c1nccc2)C1CCC1
• InChI: InChI=1S/C27H28N4O3/c1-33-21-9-7-18(8-10-21)23-11-12-24(34-23)27(32)30-16-13-20(14-17-30)31-25(19-4-2-5-19)29-22-6-3-15-28-26(22)31/h3,6-12,15,19-20H,2,4-5,13-14,16-17H2,1H3
• InChIKey: HIZTVWCSLVWQTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-cyclobutyl-3H-imidazo[4,5-b]pyridin-3-yl}-1-[5-(4-methoxyphenyl)furan-2-carbonyl]piperidine
• IUPAC Traditional name: 4-{2-cyclobutylimidazo[4,5-b]pyridin-3-yl}-1-[5-(4-methoxyphenyl)furan-2-carbonyl]piperidine
• Synonyms: 2-cyclobutyl-3-{1-[5-(4-methoxyphenyl)-2-furoyl]-4-piperidinyl}-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5573506
• LogD (pH = 7.4): 3.5580668
• Log P: 3.5580761
• Molar Refractivity: 128.3624 cm^3
• Polarizability: 50.89502 Å^3
• Polar Surface Area: 73.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.47
• LOG S: -7.0
• Polar Surface Area: 73.39 Å^2
• Rotatable Bonds: 4