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

• ChemBase ID: 696825
• Molecular Formular: C18H19N7O
• Molecular Mass: 349.38976
• Monoisotopic Mass: 349.16510826
• SMILES: c1(n2c(nc(c1)C(C)C)ccn2)NC(c1nc(no1)c1ncccc1)C
• Canonical SMILES: CC(c1onc(n1)c1ccccn1)Nc1cc(nc2n1ncc2)C(C)C
• InChI: InChI=1S/C18H19N7O/c1-11(2)14-10-16(25-15(22-14)7-9-20-25)21-12(3)18-23-17(24-26-18)13-6-4-5-8-19-13/h4-12,21H,1-3H3
• InChIKey: ZIMVQZALUQFWJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.4084842
• LogD (pH = 7.4): 3.408529
• Log P: 3.4085298
• Molar Refractivity: 118.9454 cm^3
• Polarizability: 36.754673 Å^3
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.63
• LOG S: -3.99
• Polar Surface Area: 94.03 Å^2
• Rotatable Bonds: 5