3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}propanamide

• ChemBase ID: 693147
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: C1(=O)N(Cc2c1cccc2)CCC(=O)NCc1c2n(nc1)cccc2
• Canonical SMILES: O=C(NCc1cnn2c1cccc2)CCN1Cc2c(C1=O)cccc2
• InChI: InChI=1S/C19H18N4O2/c24-18(20-11-15-12-21-23-9-4-3-7-17(15)23)8-10-22-13-14-5-1-2-6-16(14)19(22)25/h1-7,9,12H,8,10-11,13H2,(H,20,24)
• InChIKey: HMNINGCVACPFCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}propanamide
• IUPAC Traditional name: 3-(1-oxo-3H-isoindol-2-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}propanamide
• Synonyms: 3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.853245
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4085481
• LogD (pH = 7.4): 1.4086046
• Log P: 1.4086053
• Molar Refractivity: 105.5198 cm^3
• Polarizability: 36.053356 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.53
• LOG S: -2.09
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 5