8-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}-1-oxa-8-azaspiro[4.5]decane

• ChemBase ID: 776093
• Molecular Formular: C17H22N4O2
• Molecular Mass: 314.38218
• Monoisotopic Mass: 314.17427596
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)N1CCC2(OCCC2)CC1)C
• Canonical SMILES: Cc1nn2c(c1)nc(cc2C)C(=O)N1CCC2(CC1)CCCO2
• InChI: InChI=1S/C17H22N4O2/c1-12-10-15-18-14(11-13(2)21(15)19-12)16(22)20-7-5-17(6-8-20)4-3-9-23-17/h10-11H,3-9H2,1-2H3
• InChIKey: VOQSEBBAESXZCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}-1-oxa-8-azaspiro[4.5]decane
• IUPAC Traditional name: 8-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}-1-oxa-8-azaspiro[4.5]decane
• Synonyms: 8-[(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)carbonyl]-1-oxa-8-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.95831037
• LogD (pH = 7.4): 0.95849675
• Log P: 0.95849913
• Molar Refractivity: 97.9207 cm^3
• Polarizability: 32.74671 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.48
• LOG S: -1.9
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 1