1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-[(3-methoxyphenyl)methyl]piperazine

• ChemBase ID: 576153
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: n12c(cc(nc1ccn2)COC)N1CCN(Cc2cc(OC)ccc2)CC1
• Canonical SMILES: COCc1nc2ccnn2c(c1)N1CCN(CC1)Cc1cccc(c1)OC
• InChI: InChI=1S/C20H25N5O2/c1-26-15-17-13-20(25-19(22-17)6-7-21-25)24-10-8-23(9-11-24)14-16-4-3-5-18(12-16)27-2/h3-7,12-13H,8-11,14-15H2,1-2H3
• InChIKey: VZNDLHJPRHQCAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-[(3-methoxyphenyl)methyl]piperazine
• IUPAC Traditional name: 1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-[(3-methoxyphenyl)methyl]piperazine
• Synonyms: 7-[4-(3-methoxybenzyl)-1-piperazinyl]-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.34587306
• LogD (pH = 7.4): 1.9303844
• Log P: 2.2214775
• Molar Refractivity: 115.6263 cm^3
• Polarizability: 40.006947 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.55
• LOG S: -2.19
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 6