2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide

• ChemBase ID: 389902
• Molecular Formular: C15H17N5O3
• Molecular Mass: 315.32718
• Monoisotopic Mass: 315.13313943
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCc1c2n(nc1)cccc2)C)C
• Canonical SMILES: O=C(CC1N(C)C(=O)N(C1=O)C)NCc1cnn2c1cccc2
• InChI: InChI=1S/C15H17N5O3/c1-18-12(14(22)19(2)15(18)23)7-13(21)16-8-10-9-17-20-6-4-3-5-11(10)20/h3-6,9,12H,7-8H2,1-2H3,(H,16,21)
• InChIKey: CFYDRUSXEWGBRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.150082
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.40482935
• LogD (pH = 7.4): -0.40477306
• Log P: -0.40477225
• Molar Refractivity: 92.6202 cm^3
• Polarizability: 31.627417 Å^3
• Polar Surface Area: 87.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.34
• LOG S: -1.67
• Polar Surface Area: 87.02 Å^2
• Rotatable Bonds: 4