N3-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}-N1-(pyridin-3-yl)propane-1,3-diamine

• ChemBase ID: 327385
• Molecular Formular: C15H18N6
• Molecular Mass: 282.34362
• Monoisotopic Mass: 282.15929461
• SMILES: n12c(nc(cc1NCCCNc1cnccc1)C)ccn2
• Canonical SMILES: Cc1cc(NCCCNc2cccnc2)n2c(n1)ccn2
• InChI: InChI=1S/C15H18N6/c1-12-10-15(21-14(20-12)5-9-19-21)18-8-3-7-17-13-4-2-6-16-11-13/h2,4-6,9-11,17-18H,3,7-8H2,1H3
• InChIKey: QSXHQESKBONANW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}-N1-(pyridin-3-yl)propane-1,3-diamine
• IUPAC Traditional name: N3-{5-methylpyrazolo[1,5-a]pyrimidin-7-yl}-N1-(pyridin-3-yl)propane-1,3-diamine
• Synonyms: (5-methylpyrazolo[1,5-a]pyrimidin-7-yl)[3-(3-pyridinylamino)propyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.15394512
• LogD (pH = 7.4): 0.4568086
• Log P: 0.46319824
• Molar Refractivity: 94.8035 cm^3
• Polarizability: 30.645838 Å^3
• Polar Surface Area: 67.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.75
• LOG S: -1.9
• Polar Surface Area: 67.14 Å^2
• Rotatable Bonds: 6