[(3-methylpyridin-2-yl)methyl]({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)(propan-2-yl)amine

• ChemBase ID: 680443
• Molecular Formular: C23H25N5
• Molecular Mass: 371.4781
• Monoisotopic Mass: 371.21099583
• SMILES: c12c(cnn1cc(cn2)CN(Cc1ncccc1C)C(C)C)c1ccccc1
• Canonical SMILES: CC(N(Cc1ncccc1C)Cc1cnc2n(c1)ncc2c1ccccc1)C
• InChI: InChI=1S/C23H25N5/c1-17(2)27(16-22-18(3)8-7-11-24-22)14-19-12-25-23-21(13-26-28(23)15-19)20-9-5-4-6-10-20/h4-13,15,17H,14,16H2,1-3H3
• InChIKey: GPKLRKIQVJDYGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-methylpyridin-2-yl)methyl]({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)(propan-2-yl)amine
• IUPAC Traditional name: isopropyl[(3-methylpyridin-2-yl)methyl]({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)amine
• Synonyms: N-[(3-methylpyridin-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-2-amine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5983093
• LogD (pH = 7.4): 3.9679043
• Log P: 4.1166716
• Molar Refractivity: 123.5946 cm^3
• Polarizability: 44.603184 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 2.78
• LOG S: -1.98