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

• ChemBase ID: 341906
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: C(=O)(c1ncccc1O)N1CCC(c2n(ccn2)CC2CCC2)CC1
• Canonical SMILES: Oc1cccnc1C(=O)N1CCC(CC1)c1nccn1CC1CCC1
• InChI: InChI=1S/C19H24N4O2/c24-16-5-2-8-20-17(16)19(25)22-10-6-15(7-11-22)18-21-9-12-23(18)13-14-3-1-4-14/h2,5,8-9,12,14-15,24H,1,3-4,6-7,10-11,13H2
• InChIKey: JMFOHXKGYLELQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.584561
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8193202
• LogD (pH = 7.4): 2.2215993
• Log P: 2.3012004
• Molar Refractivity: 95.0132 cm^3
• Polarizability: 36.173058 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: 1.81
• LOG S: -3.23
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 4