3-(2-methylphenyl)-1-{pyrazolo[1,5-a]pyridine-7-carbonyl}pyrrolidin-3-ol

• ChemBase ID: 355576
• Molecular Formular: C19H19N3O2
• Molecular Mass: 321.37306
• Monoisotopic Mass: 321.14772686
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N1CC(c2c(C)cccc2)(CC1)O
• Canonical SMILES: Cc1ccccc1C1(O)CCN(C1)C(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C19H19N3O2/c1-14-5-2-3-7-16(14)19(24)10-12-21(13-19)18(23)17-8-4-6-15-9-11-20-22(15)17/h2-9,11,24H,10,12-13H2,1H3
• InChIKey: HMYZWGUMKFFGDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylphenyl)-1-{pyrazolo[1,5-a]pyridine-7-carbonyl}pyrrolidin-3-ol
• IUPAC Traditional name: 3-(2-methylphenyl)-1-{pyrazolo[1,5-a]pyridine-7-carbonyl}pyrrolidin-3-ol
• Synonyms: 3-(2-methylphenyl)-1-(pyrazolo[1,5-a]pyridin-7-ylcarbonyl)pyrrolidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.659692
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.140885
• LogD (pH = 7.4): 2.1409388
• Log P: 2.1409397
• Molar Refractivity: 103.1295 cm^3
• Polarizability: 35.397457 Å^3
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.06
• LOG S: -2.45
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 2