N,1,3-trimethyl-N-[2-(morpholin-4-yl)propyl]-6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

• ChemBase ID: 392424
• Molecular Formular: C20H27N7O
• Molecular Mass: 381.47468
• Monoisotopic Mass: 381.22770852
• SMILES: c12c(c(nc(n1)c1ccncc1)N(CC(N1CCOCC1)C)C)c(nn2C)C
• Canonical SMILES: CC(N1CCOCC1)CN(c1nc(nc2c1c(C)nn2C)c1ccncc1)C
• InChI: InChI=1S/C20H27N7O/c1-14(27-9-11-28-12-10-27)13-25(3)19-17-15(2)24-26(4)20(17)23-18(22-19)16-5-7-21-8-6-16/h5-8,14H,9-13H2,1-4H3
• InChIKey: VMOAPIZXSYPKNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1,3-trimethyl-N-[2-(morpholin-4-yl)propyl]-6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,1,3-trimethyl-N-[2-(morpholin-4-yl)propyl]-6-(pyridin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• Synonyms: N,1,3-trimethyl-N-[2-(4-morpholinyl)propyl]-6-(4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.44328988
• LogD (pH = 7.4): 1.9098213
• Log P: 2.1044974
• Molar Refractivity: 132.0062 cm^3
• Polarizability: 42.452698 Å^3
• Polar Surface Area: 72.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.92
• LOG S: -1.76
• Polar Surface Area: 72.2 Å^2
• Rotatable Bonds: 5