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

• ChemBase ID: 567367
• Molecular Formular: C20H21N5
• Molecular Mass: 331.41424
• Monoisotopic Mass: 331.1796957
• SMILES: n12c(cc(nc1ccn2)CCC)N(Cc1nc2c(cc1)cccc2)C
• Canonical SMILES: CCCc1cc(N(Cc2ccc3c(n2)cccc3)C)n2c(n1)ccn2
• InChI: InChI=1S/C20H21N5/c1-3-6-16-13-20(25-19(23-16)11-12-21-25)24(2)14-17-10-9-15-7-4-5-8-18(15)22-17/h4-5,7-13H,3,6,14H2,1-2H3
• InChIKey: GJEBTMZRYXUZIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.0857453
• LogD (pH = 7.4): 4.090323
• Log P: 4.0903816
• Molar Refractivity: 109.2866 cm^3
• Polarizability: 38.894657 Å^3
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.21
• LOG S: -6.32
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 5