5-phenyl-N-{[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 787748
• Molecular Formular: C19H15N7
• Molecular Mass: 341.3693
• Monoisotopic Mass: 341.13889352
• SMILES: n12c(nc(cc1NCc1n3c(nn1)cccc3)c1ccccc1)ccn2
• Canonical SMILES: c1ccc(cc1)c1cc(NCc2nnc3n2cccc3)n2c(n1)ccn2
• InChI: InChI=1S/C19H15N7/c1-2-6-14(7-3-1)15-12-18(26-16(22-15)9-10-21-26)20-13-19-24-23-17-8-4-5-11-25(17)19/h1-12,20H,13H2
• InChIKey: SWJAWBWDZOQCBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-N-{[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-phenyl-N-{[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.871455
• LogD (pH = 7.4): 1.8716071
• Log P: 1.871609
• Molar Refractivity: 112.0191 cm^3
• Polarizability: 37.99096 Å^3
• Polar Surface Area: 72.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.9
• LOG S: -4.17
• Polar Surface Area: 72.41 Å^2
• Rotatable Bonds: 4