({3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}methyl)(propyl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 453034
• Molecular Formular: C22H23N5
• Molecular Mass: 357.45152
• Monoisotopic Mass: 357.19534576
• SMILES: c12c(cnn1cc(cn2)CN(Cc1cnccc1)CCC)c1ccccc1
• Canonical SMILES: CCCN(Cc1cnc2n(c1)ncc2c1ccccc1)Cc1cccnc1
• InChI: InChI=1S/C22H23N5/c1-2-11-26(15-18-7-6-10-23-12-18)16-19-13-24-22-21(14-25-27(22)17-19)20-8-4-3-5-9-20/h3-10,12-14,17H,2,11,15-16H2,1H3
• InChIKey: TTZWIJDEGZWBKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3922869
• LogD (pH = 7.4): 3.1129994
• Log P: 3.6277258
• Molar Refractivity: 119.1808 cm^3
• Polarizability: 42.835484 Å^3
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.51
• LOG S: -1.64
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 7