N-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-N-methyl-2-{2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl}acetamide

• ChemBase ID: 679362
• Molecular Formular: C19H31N5O3
• Molecular Mass: 377.48114
• Monoisotopic Mass: 377.24268988
• SMILES: c1(c(n(nc1C)C(C)C)C)CN(C(=O)CN1C(=O)OC2(C1)CCNCC2)C
• Canonical SMILES: CN(C(=O)CN1CC2(OC1=O)CCNCC2)Cc1c(C)nn(c1C)C(C)C
• InChI: InChI=1S/C19H31N5O3/c1-13(2)24-15(4)16(14(3)21-24)10-22(5)17(25)11-23-12-19(27-18(23)26)6-8-20-9-7-19/h13,20H,6-12H2,1-5H3
• InChIKey: YENSVWWBNMQEBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}-N-methyl-2-{2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl}acetamide
• IUPAC Traditional name: N-[(1-isopropyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-2-{2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl}acetamide
• Synonyms: N-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.37311
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.391566
• LogD (pH = 7.4): -2.452188
• Log P: -0.19260263
• Molar Refractivity: 114.0847 cm^3
• Polarizability: 39.57634 Å^3
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.14
• LOG S: -2.93
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 5