8-(pyrazine-2-carbonyl)-2-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 853299
• Molecular Formular: C21H25N5O2
• Molecular Mass: 379.4555
• Monoisotopic Mass: 379.20082507
• SMILES: N1(C(=O)c2nccnc2)CC2(CN(C(=O)CC2)CCc2ncccc2)CCC1
• Canonical SMILES: O=C(N1CCCC2(C1)CCC(=O)N(C2)CCc1ccccn1)c1nccnc1
• InChI: InChI=1S/C21H25N5O2/c27-19-5-8-21(15-25(19)13-6-17-4-1-2-9-23-17)7-3-12-26(16-21)20(28)18-14-22-10-11-24-18/h1-2,4,9-11,14H,3,5-8,12-13,15-16H2
• InChIKey: NBSZLMAHHMJKMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(pyrazine-2-carbonyl)-2-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(pyrazine-2-carbonyl)-2-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(pyrazin-2-ylcarbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.043506585
• LogD (pH = 7.4): 0.086895384
• Log P: 0.08747983
• Molar Refractivity: 103.885 cm^3
• Polarizability: 40.09499 Å^3
• Polar Surface Area: 79.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.1
• LOG S: -1.89
• Polar Surface Area: 79.29 Å^2
• Rotatable Bonds: 4