3-{imidazo[1,2-a]pyridin-2-yl}-1-[3-(1-methyl-1H-imidazole-2-carbonyl)piperidin-1-yl]propan-1-one

• ChemBase ID: 576175
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c1(C(=O)C2CN(C(=O)CCc3nc4n(c3)cccc4)CCC2)n(ccn1)C
• Canonical SMILES: O=C(N1CCCC(C1)C(=O)c1nccn1C)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H23N5O2/c1-23-12-9-21-20(23)19(27)15-5-4-11-25(13-15)18(26)8-7-16-14-24-10-3-2-6-17(24)22-16/h2-3,6,9-10,12,14-15H,4-5,7-8,11,13H2,1H3
• InChIKey: FFVQYBMBUUQMPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[3-(1-methyl-1H-imidazole-2-carbonyl)piperidin-1-yl]propan-1-one
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]propan-1-one
• Synonyms: [1-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3-piperidinyl](1-methyl-1H-imidazol-2-yl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.694251
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.06663187
• LogD (pH = 7.4): 0.7946197
• Log P: 0.82219994
• Molar Refractivity: 102.4105 cm^3
• Polarizability: 38.5845 Å^3
• Polar Surface Area: 72.5 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: 1.06
• LOG S: -2.77
• Polar Surface Area: 72.5 Å^2
• Rotatable Bonds: 5