N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 414502
• Molecular Formular: C20H26N6O
• Molecular Mass: 366.46004
• Monoisotopic Mass: 366.21680948
• SMILES: n12c(nc(cc1NCC(N1CCOCC1)c1cnccc1)CCC)ccn2
• Canonical SMILES: CCCc1cc(NCC(c2cccnc2)N2CCOCC2)n2c(n1)ccn2
• InChI: InChI=1S/C20H26N6O/c1-2-4-17-13-20(26-19(24-17)6-8-23-26)22-15-18(16-5-3-7-21-14-16)25-9-11-27-12-10-25/h3,5-8,13-14,18,22H,2,4,9-12,15H2,1H3
• InChIKey: YIHZTGSLDMHRBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.0954858
• LogD (pH = 7.4): 1.8327682
• Log P: 1.8582283
• Molar Refractivity: 116.2596 cm^3
• Polarizability: 40.198837 Å^3
• Polar Surface Area: 67.58 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.65
• LOG S: -0.97
• Polar Surface Area: 67.58 Å^2
• Rotatable Bonds: 7