6-(1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-yl)pyrimidin-4-ol

• ChemBase ID: 674755
• Molecular Formular: C18H19N5O2
• Molecular Mass: 337.37576
• Monoisotopic Mass: 337.15387487
• SMILES: c1(nc2n(c1)c(ccc2)C)C(=O)N1CC(c2cc(ncn2)O)CCC1
• Canonical SMILES: Oc1ncnc(c1)C1CCCN(C1)C(=O)c1cn2c(n1)cccc2C
• InChI: InChI=1S/C18H19N5O2/c1-12-4-2-6-16-21-15(10-23(12)16)18(25)22-7-3-5-13(9-22)14-8-17(24)20-11-19-14/h2,4,6,8,10-11,13H,3,5,7,9H2,1H3,(H,19,20,24)
• InChIKey: FSEYPMRVGSPVBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-yl)pyrimidin-4-ol
• IUPAC Traditional name: 6-(1-{5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-yl)pyrimidin-4-ol
• Synonyms: 6-{1-[(5-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]piperidin-3-yl}pyrimidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.721424
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5623207
• LogD (pH = 7.4): 1.5672314
• Log P: 1.5673151
• Molar Refractivity: 94.7783 cm^3
• Polarizability: 34.8059 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: -0.34
• LOG S: -2.68
• Polar Surface Area: 83.62 Å^2
• Rotatable Bonds: 2