N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 707392
• Molecular Formular: C19H16FN5O
• Molecular Mass: 349.3616432
• Monoisotopic Mass: 349.13388838
• SMILES: n12c(nc(cc1NCc1noc(c1)C1CC1)c1ccc(cc1)F)ccn2
• Canonical SMILES: Fc1ccc(cc1)c1cc(NCc2noc(c2)C2CC2)n2c(n1)ccn2
• InChI: InChI=1S/C19H16FN5O/c20-14-5-3-12(4-6-14)16-10-19(25-18(23-16)7-8-22-25)21-11-15-9-17(26-24-15)13-1-2-13/h3-10,13,21H,1-2,11H2
• InChIKey: XFKXJQXYRUHDBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[(5-cyclopropyl-3-isoxazolyl)methyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1846006
• LogD (pH = 7.4): 3.18464
• Log P: 3.1846404
• Molar Refractivity: 106.0768 cm^3
• Polarizability: 36.262486 Å^3
• Polar Surface Area: 68.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.87
• LOG S: -4.2
• Polar Surface Area: 68.25 Å^2
• Rotatable Bonds: 5