N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 849963
• Molecular Formular: C23H23N5O2
• Molecular Mass: 401.46102
• Monoisotopic Mass: 401.185175
• SMILES: c1(c2n(nc1)cc(cn2)C)C(=O)N(Cc1ncccc1)CCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCN(C(=O)c1cnn2c1ncc(c2)C)Cc1ccccn1
• InChI: InChI=1S/C23H23N5O2/c1-17-13-25-22-21(14-26-28(22)15-17)23(29)27(16-19-5-3-4-11-24-19)12-10-18-6-8-20(30-2)9-7-18/h3-9,11,13-15H,10,12,16H2,1-2H3
• InChIKey: DRANYNRACJSVDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-[2-(4-methoxyphenyl)ethyl]-6-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.890445
• LogD (pH = 7.4): 2.9078946
• Log P: 2.908122
• Molar Refractivity: 125.4509 cm^3
• Polarizability: 43.321434 Å^3
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.65
• LOG S: -1.38
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 7