N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 674448
• Molecular Formular: C19H19N5OS
• Molecular Mass: 365.45206
• Monoisotopic Mass: 365.13103125
• SMILES: n12c(nc(cc1NCc1nc(sc1)Cc1ccccc1)COC)ccn2
• Canonical SMILES: COCc1cc(NCc2csc(n2)Cc2ccccc2)n2c(n1)ccn2
• InChI: InChI=1S/C19H19N5OS/c1-25-12-15-10-18(24-17(22-15)7-8-21-24)20-11-16-13-26-19(23-16)9-14-5-3-2-4-6-14/h2-8,10,13,20H,9,11-12H2,1H3
• InChIKey: ATRHHQQLGZWXCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5939953
• LogD (pH = 7.4): 2.594427
• Log P: 2.5944328
• Molar Refractivity: 112.727 cm^3
• Polarizability: 38.460567 Å^3
• Polar Surface Area: 64.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.54
• LOG S: -4.03
• Polar Surface Area: 64.34 Å^2
• Rotatable Bonds: 7