5-methyl-N-(quinolin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 721230
• Molecular Formular: C17H15N5
• Molecular Mass: 289.3345
• Monoisotopic Mass: 289.13274551
• SMILES: n12c(nc(cc1NCc1nc3c(cc1)cccc3)C)ccn2
• Canonical SMILES: Cc1cc(NCc2ccc3c(n2)cccc3)n2c(n1)ccn2
• InChI: InChI=1S/C17H15N5/c1-12-10-17(22-16(20-12)8-9-19-22)18-11-14-7-6-13-4-2-3-5-15(13)21-14/h2-10,18H,11H2,1H3
• InChIKey: FCUWTNMBGFYACM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-(quinolin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-methyl-N-(quinolin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-methyl-N-(2-quinolinylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3073828
• LogD (pH = 7.4): 2.3099785
• Log P: 2.3100116
• Molar Refractivity: 95.8239 cm^3
• Polarizability: 33.35759 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.53
• LOG S: -4.58
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 3