4-{5-[1-(methoxymethyl)cyclobutanecarbonyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine

• ChemBase ID: 367773
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: N1(C(=O)C2(COC)CCC2)C(c2c([nH]cn2)CC1)c1ccncc1
• Canonical SMILES: COCC1(CCC1)C(=O)N1CCc2c(C1c1ccncc1)nc[nH]2
• InChI: InChI=1S/C18H22N4O2/c1-24-11-18(6-2-7-18)17(23)22-10-5-14-15(21-12-20-14)16(22)13-3-8-19-9-4-13/h3-4,8-9,12,16H,2,5-7,10-11H2,1H3,(H,20,21)
• InChIKey: ABAMJOWYFOHLBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-[1-(methoxymethyl)cyclobutanecarbonyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine
• IUPAC Traditional name: 4-{5-[1-(methoxymethyl)cyclobutanecarbonyl]-1H,4H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine
• Synonyms: 5-{[1-(methoxymethyl)cyclobutyl]carbonyl}-4-pyridin-4-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.332712
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.1511079
• LogD (pH = 7.4): 0.68427896
• Log P: 0.6972185
• Molar Refractivity: 89.8301 cm^3
• Polarizability: 34.69663 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.22
• LOG S: -1.4
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 4