N-[3-(4-methylpiperazin-1-yl)propyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 742244
• Molecular Formular: C17H28N6
• Molecular Mass: 316.44442
• Monoisotopic Mass: 316.23754493
• SMILES: n12c(nc(cc1NCCCN1CCN(CC1)C)C(C)C)ccn2
• Canonical SMILES: CN1CCN(CC1)CCCNc1cc(nc2n1ncc2)C(C)C
• InChI: InChI=1S/C17H28N6/c1-14(2)15-13-17(23-16(20-15)5-7-19-23)18-6-4-8-22-11-9-21(3)10-12-22/h5,7,13-14,18H,4,6,8-12H2,1-3H3
• InChIKey: ZNYXJNAEMKGXRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methylpiperazin-1-yl)propyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-isopropyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-isopropyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.4083672
• LogD (pH = 7.4): 0.33300173
• Log P: 1.5156579
• Molar Refractivity: 105.9482 cm^3
• Polarizability: 36.024998 Å^3
• Polar Surface Area: 48.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.51
• LOG S: -1.79
• Polar Surface Area: 48.7 Å^2
• Rotatable Bonds: 6