5-(2-{3-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)imidazolidine-2,4-dione

• ChemBase ID: 773899
• Molecular Formular: C13H17N5O3
• Molecular Mass: 291.30578
• Monoisotopic Mass: 291.13313943
• SMILES: c12c([nH]nc2CC)CCN(C(=O)CC2C(=O)NC(=O)N2)C1
• Canonical SMILES: CCc1n[nH]c2c1CN(CC2)C(=O)CC1NC(=O)NC1=O
• InChI: InChI=1S/C13H17N5O3/c1-2-8-7-6-18(4-3-9(7)17-16-8)11(19)5-10-12(20)15-13(21)14-10/h10H,2-6H2,1H3,(H,16,17)(H2,14,15,20,21)
• InChIKey: MVYFTDLYSOJYNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-{3-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(2-{3-ethyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)imidazolidine-2,4-dione
• Synonyms: 5-[2-(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.627901
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.2917622
• LogD (pH = 7.4): -1.293648
• Log P: -1.2911073
• Molar Refractivity: 74.0069 cm^3
• Polarizability: 27.770746 Å^3
• Polar Surface Area: 107.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.83
• LOG S: -1.93
• Polar Surface Area: 107.19 Å^2
• Rotatable Bonds: 3