5-methyl-N-[3-(1-methyl-1H-1,3-benzodiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 612147
• Molecular Formular: C18H20N6
• Molecular Mass: 320.3916
• Monoisotopic Mass: 320.17494467
• SMILES: n12c(nc(cc1NCCCc1nc3c(n1C)cccc3)C)ccn2
• Canonical SMILES: Cc1cc(NCCCc2nc3c(n2C)cccc3)n2c(n1)ccn2
• InChI: InChI=1S/C18H20N6/c1-13-12-18(24-17(21-13)9-11-20-24)19-10-5-8-16-22-14-6-3-4-7-15(14)23(16)2/h3-4,6-7,9,11-12,19H,5,8,10H2,1-2H3
• InChIKey: AFQANCNZNCJBRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[3-(1-methyl-1H-1,3-benzodiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-methyl-N-[3-(1-methyl-1,3-benzodiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-methyl-N-[3-(1-methyl-1H-benzimidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5850663
• LogD (pH = 7.4): 2.161985
• Log P: 2.1796596
• Molar Refractivity: 105.0134 cm^3
• Polarizability: 36.410027 Å^3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.23
• LOG S: -5.41
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 5