methyl 2-(3-oxo-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperazin-2-yl)acetate

• ChemBase ID: 826278
• Molecular Formular: C15H20N4O4
• Molecular Mass: 320.3437
• Monoisotopic Mass: 320.14845514
• SMILES: c1(C(=O)N2C(C(=O)NCC2)CC(=O)OC)c2n(nc1)CCCC2
• Canonical SMILES: COC(=O)CC1C(=O)NCCN1C(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C15H20N4O4/c1-23-13(20)8-12-14(21)16-5-7-18(12)15(22)10-9-17-19-6-3-2-4-11(10)19/h9,12H,2-8H2,1H3,(H,16,21)
• InChIKey: ZSNNTUNBUSZZNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(3-oxo-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperazin-2-yl)acetate
• IUPAC Traditional name: methyl 2-(3-oxo-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperazin-2-yl)acetate
• Synonyms: methyl [3-oxo-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbonyl)piperazin-2-yl]acetate

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.617733
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8117818
• LogD (pH = 7.4): -0.8117447
• Log P: -0.811744
• Molar Refractivity: 92.5092 cm^3
• Polarizability: 30.733885 Å^3
• Polar Surface Area: 93.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.92
• LOG S: -1.21
• Polar Surface Area: 93.53 Å^2
• Rotatable Bonds: 4