7-(propan-2-yl)-2-[3-(pyridin-2-yl)-1H-pyrazole-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 632687
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c1(C(=O)N2CC3(C(=O)N(C(C)C)CCC3)CC2)cc(n[nH]1)c1ncccc1
• Canonical SMILES: CC(N1CCCC2(C1=O)CCN(C2)C(=O)c1[nH]nc(c1)c1ccccn1)C
• InChI: InChI=1S/C20H25N5O2/c1-14(2)25-10-5-7-20(19(25)27)8-11-24(13-20)18(26)17-12-16(22-23-17)15-6-3-4-9-21-15/h3-4,6,9,12,14H,5,7-8,10-11,13H2,1-2H3,(H,22,23)
• InChIKey: UKAVWOAVZKKDNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(propan-2-yl)-2-[3-(pyridin-2-yl)-1H-pyrazole-5-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-isopropyl-2-[5-(pyridin-2-yl)-2H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-isopropyl-2-[(3-pyridin-2-yl-1H-pyrazol-5-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.828514
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4217508
• LogD (pH = 7.4): 1.406468
• Log P: 1.4219689
• Molar Refractivity: 102.5103 cm^3
• Polarizability: 40.045223 Å^3
• Polar Surface Area: 82.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.16
• LOG S: -3.05
• Polar Surface Area: 82.19 Å^2
• Rotatable Bonds: 3