7-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}-2-oxa-7-azaspiro[4.5]decan-8-one

• ChemBase ID: 836279
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: c1(c2n(nc1)cccn2)CN1C(=O)CCC2(C1)COCC2
• Canonical SMILES: O=C1CCC2(CN1Cc1cnn3c1nccc3)COCC2
• InChI: InChI=1S/C15H18N4O2/c20-13-2-3-15(4-7-21-11-15)10-18(13)9-12-8-17-19-6-1-5-16-14(12)19/h1,5-6,8H,2-4,7,9-11H2
• InChIKey: PSMMGHAYGMXEDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}-2-oxa-7-azaspiro[4.5]decan-8-one
• IUPAC Traditional name: 7-{pyrazolo[1,5-a]pyrimidin-3-ylmethyl}-2-oxa-7-azaspiro[4.5]decan-8-one
• Synonyms: 7-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-oxa-7-azaspiro[4.5]decan-8-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.12461278
• LogD (pH = 7.4): 0.124631256
• Log P: 0.124631494
• Molar Refractivity: 87.7478 cm^3
• Polarizability: 29.430876 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.44
• LOG S: -2.0
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 2