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

• ChemBase ID: 712855
• Molecular Formular: C21H28N4O3
• Molecular Mass: 384.47202
• Monoisotopic Mass: 384.21614078
• SMILES: c1(c2n(nc1)cccc2)C(=O)N1CCC2(OC(=O)N(C2)CC(CC)CC)CC1
• Canonical SMILES: CCC(CN1CC2(OC1=O)CCN(CC2)C(=O)c1cnn2c1cccc2)CC
• InChI: InChI=1S/C21H28N4O3/c1-3-16(4-2)14-24-15-21(28-20(24)27)8-11-23(12-9-21)19(26)17-13-22-25-10-6-5-7-18(17)25/h5-7,10,13,16H,3-4,8-9,11-12,14-15H2,1-2H3
• InChIKey: JPEWXCRHVYCWIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5598407
• LogD (pH = 7.4): 2.5598512
• Log P: 2.5598514
• Molar Refractivity: 117.0624 cm^3
• Polarizability: 41.18377 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.61
• LOG S: -4.23
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 5