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

• ChemBase ID: 477317
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: c1(n(CC2CC2)ccn1)C1CN(C(=O)c2c(nccc2)O)CCC1
• Canonical SMILES: O=C(c1cccnc1O)N1CCCC(C1)c1nccn1CC1CC1
• InChI: InChI=1S/C18H22N4O2/c23-17-15(4-1-7-20-17)18(24)22-9-2-3-14(12-22)16-19-8-10-21(16)11-13-5-6-13/h1,4,7-8,10,13-14H,2-3,5-6,9,11-12H2,(H,20,23)
• InChIKey: FCRNJCYNUXCMOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.017561
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.762247
• LogD (pH = 7.4): 2.3991
• Log P: 2.4289157
• Molar Refractivity: 90.9437 cm^3
• Polarizability: 34.33389 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: -0.27
• LOG S: -2.66
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 4