3-{4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}pyridin-2-ol

• ChemBase ID: 376468
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: C(=O)(c1c(nccc1)O)N1CCC(c2n(ccn2)CC2CCC2)CC1
• Canonical SMILES: O=C(c1cccnc1O)N1CCC(CC1)c1nccn1CC1CCC1
• InChI: InChI=1S/C19H24N4O2/c24-18-16(5-2-8-21-18)19(25)22-10-6-15(7-11-22)17-20-9-12-23(17)13-14-3-1-4-14/h2,5,8-9,12,14-15H,1,3-4,6-7,10-11,13H2,(H,21,24)
• InChIKey: MWIFUQOHLVLUNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}pyridin-2-ol
• IUPAC Traditional name: 3-{4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carbonyl}pyridin-2-ol
• Synonyms: 3-({4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)pyridin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.0181
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0371933
• LogD (pH = 7.4): 2.6860285
• Log P: 2.717577
• Molar Refractivity: 95.6987 cm^3
• Polarizability: 36.17095 Å^3
• Polar Surface Area: 71.25 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: 0.24
• LOG S: -3.2
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 4