2,3,5-trimethyl-N-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 827482
• Molecular Formular: C20H25N5
• Molecular Mass: 335.446
• Monoisotopic Mass: 335.21099583
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCC1N(Cc2c(C1)cccc2)C)C
• Canonical SMILES: Cc1cc(NCC2Cc3ccccc3CN2C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C20H25N5/c1-13-9-19(25-20(22-13)14(2)15(3)23-25)21-11-18-10-16-7-5-6-8-17(16)12-24(18)4/h5-9,18,21H,10-12H2,1-4H3
• InChIKey: XOYYBHOGLVLHJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trimethyl-N-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 2,3,5-trimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 2,3,5-trimethyl-N-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.15264761
• LogD (pH = 7.4): 1.9264061
• Log P: 2.8339767
• Molar Refractivity: 113.0564 cm^3
• Polarizability: 38.33308 Å^3
• Polar Surface Area: 45.46 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: 3.72
• LOG S: -3.81
• Polar Surface Area: 45.46 Å^2
• Rotatable Bonds: 3