2-butyl-8-{pyrazolo[1,5-a]pyridine-7-carbonyl}-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 690713
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N1CC2(CN(C(=O)CC2)CCCC)CCC1
• Canonical SMILES: CCCCN1CC2(CCCN(C2)C(=O)c2cccc3n2ncc3)CCC1=O
• InChI: InChI=1S/C21H28N4O2/c1-2-3-13-23-15-21(11-8-19(23)26)10-5-14-24(16-21)20(27)18-7-4-6-17-9-12-22-25(17)18/h4,6-7,9,12H,2-3,5,8,10-11,13-16H2,1H3
• InChIKey: JRMHVGDYQNZDHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butyl-8-{pyrazolo[1,5-a]pyridine-7-carbonyl}-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-butyl-8-{pyrazolo[1,5-a]pyridine-7-carbonyl}-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-butyl-8-(pyrazolo[1,5-a]pyridin-7-ylcarbonyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0854714
• LogD (pH = 7.4): 2.0855258
• Log P: 2.0855265
• Molar Refractivity: 115.6089 cm^3
• Polarizability: 40.47958 Å^3
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.82
• LOG S: -3.44
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 4