3-(pentan-2-yl)-8-{pyrazolo[1,5-a]pyridine-7-carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 634522
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N1CCC2(OC(=O)N(C2)C(CCC)C)CC1
• Canonical SMILES: CCCC(N1CC2(OC1=O)CCN(CC2)C(=O)c1cccc2n1ncc2)C
• InChI: InChI=1S/C20H26N4O3/c1-3-5-15(2)23-14-20(27-19(23)26)9-12-22(13-10-20)18(25)17-7-4-6-16-8-11-21-24(16)17/h4,6-8,11,15H,3,5,9-10,12-14H2,1-2H3
• InChIKey: FCOPPAXQRQSHDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pentan-2-yl)-8-{pyrazolo[1,5-a]pyridine-7-carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-(pentan-2-yl)-8-{pyrazolo[1,5-a]pyridine-7-carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-(1-methylbutyl)-8-(pyrazolo[1,5-a]pyridin-7-ylcarbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0868313
• LogD (pH = 7.4): 2.0868852
• Log P: 2.086886
• Molar Refractivity: 112.2861 cm^3
• Polarizability: 39.34461 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: 2.08
• LOG S: -3.68
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4