6-(1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}piperidin-3-yl)pyrimidin-4-ol

• ChemBase ID: 608899
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)N1CC(c2cc(ncn2)O)CCC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2C(=O)N1CCCC(C1)c1ncnc(c1)O)C
• InChI: InChI=1S/C19H21N5O2/c1-12-5-7-24-16(8-12)22-13(2)18(24)19(26)23-6-3-4-14(10-23)15-9-17(25)21-11-20-15/h5,7-9,11,14H,3-4,6,10H2,1-2H3,(H,20,21,25)
• InChIKey: LGPXHFKGVJKHJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}piperidin-3-yl)pyrimidin-4-ol
• IUPAC Traditional name: 6-(1-{2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl}piperidin-3-yl)pyrimidin-4-ol
• Synonyms: 6-{1-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)carbonyl]piperidin-3-yl}pyrimidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.721425
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4758655
• LogD (pH = 7.4): 1.5457021
• Log P: 1.5466962
• Molar Refractivity: 99.5108 cm^3
• Polarizability: 36.56651 Å^3
• Polar Surface Area: 83.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.39
• LOG S: -2.1
• Polar Surface Area: 83.62 Å^2
• Rotatable Bonds: 2