N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 542742
• Molecular Formular: C13H15N5O2
• Molecular Mass: 273.2905
• Monoisotopic Mass: 273.12257475
• SMILES: n12c(C(=O)NCCN3C(=O)NCC3)cccc1ccn2
• Canonical SMILES: O=C1NCCN1CCNC(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C13H15N5O2/c19-12(14-6-8-17-9-7-15-13(17)20)11-3-1-2-10-4-5-16-18(10)11/h1-5H,6-9H2,(H,14,19)(H,15,20)
• InChIKey: MDOYSHKPKJHZQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.2884
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.5384101
• LogD (pH = 7.4): -0.53835624
• Log P: -0.53835505
• Molar Refractivity: 83.7252 cm^3
• Polarizability: 27.648695 Å^3
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.01
• LOG S: -2.5
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 4