(2R)-2-{pyrazolo[1,5-a]pyridin-7-ylformamido}propanamide

• ChemBase ID: 548706
• Molecular Formular: C11H12N4O2
• Molecular Mass: 232.23858
• Monoisotopic Mass: 232.09602564
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N[C@@H](C(=O)N)C
• Canonical SMILES: NC(=O)[C@H](NC(=O)c1cccc2n1ncc2)C
• InChI: InChI=1S/C11H12N4O2/c1-7(10(12)16)14-11(17)9-4-2-3-8-5-6-13-15(8)9/h2-7H,1H3,(H2,12,16)(H,14,17)/t7-/m1/s1
• InChIKey: ZYEZKIVECFMGOW-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-{pyrazolo[1,5-a]pyridin-7-ylformamido}propanamide
• IUPAC Traditional name: (2R)-2-{pyrazolo[1,5-a]pyridin-7-ylformamido}propanamide
• Synonyms: N-[(1R)-2-amino-1-methyl-2-oxoethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.642298
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.26274943
• LogD (pH = 7.4): -0.26269528
• Log P: -0.2626946
• Molar Refractivity: 72.2312 cm^3
• Polarizability: 23.547422 Å^3
• Polar Surface Area: 89.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.06
• LOG S: -2.15
• Polar Surface Area: 89.49 Å^2
• Rotatable Bonds: 3