8-{imidazo[1,2-a]pyridine-2-carbonyl}-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 579266
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c1(nc2n(c1)cccc2)C(=O)N1CCC2(OC(=O)N(C2)C(CCC)C)CC1
• Canonical SMILES: CCCC(N1CC2(OC1=O)CCN(CC2)C(=O)c1nc2n(c1)cccc2)C
• InChI: InChI=1S/C20H26N4O3/c1-3-6-15(2)24-14-20(27-19(24)26)8-11-22(12-9-20)18(25)16-13-23-10-5-4-7-17(23)21-16/h4-5,7,10,13,15H,3,6,8-9,11-12,14H2,1-2H3
• InChIKey: ILFYXFJWKZZEAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{imidazo[1,2-a]pyridine-2-carbonyl}-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-{imidazo[1,2-a]pyridine-2-carbonyl}-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-3-(1-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.804613
• LogD (pH = 7.4): 1.8090447
• Log P: 1.8091016
• Molar Refractivity: 101.9951 cm^3
• Polarizability: 38.699097 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.16
• LOG S: -3.75
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4