1-methoxy-8-{[1-(pyridin-2-yl)-1H-pyrrol-2-yl]methyl}-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 349432
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: n1(c(CN2CCC3(N(C(=O)CC3)OC)CC2)ccc1)c1ncccc1
• Canonical SMILES: CON1C(=O)CCC21CCN(CC2)Cc1cccn1c1ccccn1
• InChI: InChI=1S/C19H24N4O2/c1-25-23-18(24)7-8-19(23)9-13-21(14-10-19)15-16-5-4-12-22(16)17-6-2-3-11-20-17/h2-6,11-12H,7-10,13-15H2,1H3
• InChIKey: WXBZIVWTLZNWDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-8-{[1-(pyridin-2-yl)-1H-pyrrol-2-yl]methyl}-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 1-methoxy-8-{[1-(pyridin-2-yl)pyrrol-2-yl]methyl}-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 1-methoxy-8-{[1-(2-pyridinyl)-1H-pyrrol-2-yl]methyl}-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.91434634
• LogD (pH = 7.4): 0.8627267
• Log P: 1.7285225
• Molar Refractivity: 106.2446 cm^3
• Polarizability: 37.122463 Å^3
• Polar Surface Area: 50.6 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: 0.6
• LOG S: -2.19
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 4