N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 669703
• Molecular Formular: C19H15N7O
• Molecular Mass: 357.3687
• Monoisotopic Mass: 357.13380814
• SMILES: n12c(cc(nc1ccn2)c1ccncc1)N(Cc1cc2c(non2)cc1)C
• Canonical SMILES: CN(c1cc(nc2n1ncc2)c1ccncc1)Cc1ccc2c(c1)non2
• InChI: InChI=1S/C19H15N7O/c1-25(12-13-2-3-15-17(10-13)24-27-23-15)19-11-16(14-4-7-20-8-5-14)22-18-6-9-21-26(18)19/h2-11H,12H2,1H3
• InChIKey: QREJBNLIBORMII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-5-(4-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.7309604
• LogD (pH = 7.4): 2.7400887
• Log P: 2.7402065
• Molar Refractivity: 110.7522 cm^3
• Polarizability: 39.496822 Å^3
• Polar Surface Area: 85.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.72
• LOG S: -5.24
• Polar Surface Area: 85.24 Å^2
• Rotatable Bonds: 4