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

• ChemBase ID: 634519
• Molecular Formular: C15H13N7O
• Molecular Mass: 307.31002
• Monoisotopic Mass: 307.11815807
• SMILES: n12c(nc(cc1NCc1nnc(o1)C)c1ccncc1)ccn2
• Canonical SMILES: Cc1nnc(o1)CNc1cc(nc2n1ncc2)c1ccncc1
• InChI: InChI=1S/C15H13N7O/c1-10-20-21-15(23-10)9-17-14-8-12(11-2-5-16-6-3-11)19-13-4-7-18-22(13)14/h2-8,17H,9H2,1H3
• InChIKey: JEXWCESDBIRGPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.07668669
• LogD (pH = 7.4): -0.06752925
• Log P: -0.06741096
• Molar Refractivity: 95.1339 cm^3
• Polarizability: 31.889046 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.35
• LOG S: -3.05
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 4