N-({3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl}methyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 395439
• Molecular Formular: C28H24FN5O3
• Molecular Mass: 497.5202632
• Monoisotopic Mass: 497.18631787
• SMILES: c1(nn2c(c1)nccc2)C(=O)N(Cc1cc(OCc2c(F)cccc2)c(cc1)OC)Cc1ccncc1
• Canonical SMILES: COc1ccc(cc1OCc1ccccc1F)CN(C(=O)c1nn2c(c1)nccc2)Cc1ccncc1
• InChI: InChI=1S/C28H24FN5O3/c1-36-25-8-7-21(15-26(25)37-19-22-5-2-3-6-23(22)29)18-33(17-20-9-12-30-13-10-20)28(35)24-16-27-31-11-4-14-34(27)32-24/h2-16H,17-19H2,1H3
• InChIKey: PPCGCEPVOBRCTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl}methyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-({3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl}methyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-{3-[(2-fluorobenzyl)oxy]-4-methoxybenzyl}-N-(4-pyridinylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.0103245
• LogD (pH = 7.4): 4.1183023
• Log P: 4.1199217
• Molar Refractivity: 147.0971 cm^3
• Polarizability: 51.49357 Å^3
• Polar Surface Area: 81.85 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.99
• LOG S: -6.04
• Polar Surface Area: 81.85 Å^2
• Rotatable Bonds: 8