8-{3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl}-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 623650
• Molecular Formular: C20H25FN4O3
• Molecular Mass: 388.4359032
• Monoisotopic Mass: 388.1910689
• SMILES: c1(c(n2c(n1)cccc2C)F)C(=O)N1CC2(CN(C(=O)CC2)CCO)CCC1
• Canonical SMILES: OCCN1CC2(CCCN(C2)C(=O)c2nc3n(c2F)c(C)ccc3)CCC1=O
• InChI: InChI=1S/C20H25FN4O3/c1-14-4-2-5-15-22-17(18(21)25(14)15)19(28)24-9-3-7-20(13-24)8-6-16(27)23(12-20)10-11-26/h2,4-5,26H,3,6-13H2,1H3
• InChIKey: ADWOFEFJFVREBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl}-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-{3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl}-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.574227
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.024687767
• LogD (pH = 7.4): 0.024767356
• Log P: 0.024768373
• Molar Refractivity: 103.0572 cm^3
• Polarizability: 38.282314 Å^3
• Polar Surface Area: 78.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.02
• LOG S: -3.36
• Polar Surface Area: 78.15 Å^2
• Rotatable Bonds: 3