N-[3-(4-methoxyphenyl)propyl]-6-{pyrazolo[1,5-a]pyridin-7-yl}pyridine-3-carboxamide

• ChemBase ID: 583543
• Molecular Formular: C23H22N4O2
• Molecular Mass: 386.44638
• Monoisotopic Mass: 386.17427596
• SMILES: n12c(c3ncc(C(=O)NCCCc4ccc(cc4)OC)cc3)cccc1ccn2
• Canonical SMILES: COc1ccc(cc1)CCCNC(=O)c1ccc(nc1)c1cccc2n1ncc2
• InChI: InChI=1S/C23H22N4O2/c1-29-20-10-7-17(8-11-20)4-3-14-24-23(28)18-9-12-21(25-16-18)22-6-2-5-19-13-15-26-27(19)22/h2,5-13,15-16H,3-4,14H2,1H3,(H,24,28)
• InChIKey: VZZMNIGLIFPPTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methoxyphenyl)propyl]-6-{pyrazolo[1,5-a]pyridin-7-yl}pyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(4-methoxyphenyl)propyl]-6-{pyrazolo[1,5-a]pyridin-7-yl}pyridine-3-carboxamide
• Synonyms: N-[3-(4-methoxyphenyl)propyl]-6-pyrazolo[1,5-a]pyridin-7-ylnicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.846701
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.612694
• LogD (pH = 7.4): 3.6129322
• Log P: 3.6129355
• Molar Refractivity: 122.8696 cm^3
• Polarizability: 44.49878 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.79
• LOG S: -5.25
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 7