4-{3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-2-methoxypyridine

• ChemBase ID: 712389
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(n(CC2CC2)ccn1)C1CN(C(=O)c2cc(ncc2)OC)CCC1
• Canonical SMILES: COc1nccc(c1)C(=O)N1CCCC(C1)c1nccn1CC1CC1
• InChI: InChI=1S/C19H24N4O2/c1-25-17-11-15(6-7-20-17)19(24)23-9-2-3-16(13-23)18-21-8-10-22(18)12-14-4-5-14/h6-8,10-11,14,16H,2-5,9,12-13H2,1H3
• InChIKey: QHRHOQXFIABILN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-2-methoxypyridine
• IUPAC Traditional name: 4-{3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl}-2-methoxypyridine
• Synonyms: 4-({3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)-2-methoxypyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2581472
• LogD (pH = 7.4): 1.8960261
• Log P: 1.9248098
• Molar Refractivity: 95.426 cm^3
• Polarizability: 36.23918 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.51
• LOG S: -2.97
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 5