3-methyl-5-{pyrazolo[1,5-a]pyridin-7-yl}pyridin-2-amine

• ChemBase ID: 542960
• Molecular Formular: C13H12N4
• Molecular Mass: 224.26118
• Monoisotopic Mass: 224.1061964
• SMILES: n12c(c3cc(c(nc3)N)C)cccc1ccn2
• Canonical SMILES: Nc1ncc(cc1C)c1cccc2n1ncc2
• InChI: InChI=1S/C13H12N4/c1-9-7-10(8-15-13(9)14)12-4-2-3-11-5-6-16-17(11)12/h2-8H,1H3,(H2,14,15)
• InChIKey: XQMNFRGZOURHMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-5-{pyrazolo[1,5-a]pyridin-7-yl}pyridin-2-amine
• IUPAC Traditional name: 3-methyl-5-{pyrazolo[1,5-a]pyridin-7-yl}pyridin-2-amine
• Synonyms: 3-methyl-5-pyrazolo[1,5-a]pyridin-7-yl-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2385056
• LogD (pH = 7.4): 2.0860753
• Log P: 2.13169
• Molar Refractivity: 78.8898 cm^3
• Polarizability: 26.955803 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.57
• LOG S: -3.03
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1