N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 754588
• Molecular Formular: C21H19N5O
• Molecular Mass: 357.40846
• Monoisotopic Mass: 357.15896025
• SMILES: n12c(cc(nc1ccn2)c1ccncc1)N(CC1Oc2c(C1)cccc2)C
• Canonical SMILES: CN(c1cc(nc2n1ncc2)c1ccncc1)CC1Cc2c(O1)cccc2
• InChI: InChI=1S/C21H19N5O/c1-25(14-17-12-16-4-2-3-5-19(16)27-17)21-13-18(15-6-9-22-10-7-15)24-20-8-11-23-26(20)21/h2-11,13,17H,12,14H2,1H3
• InChIKey: UDFWKTDPJKUWAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-(4-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.4001656
• LogD (pH = 7.4): 3.409298
• Log P: 3.409416
• Molar Refractivity: 113.5948 cm^3
• Polarizability: 40.41925 Å^3
• Polar Surface Area: 55.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.95
• LOG S: -4.33
• Polar Surface Area: 55.55 Å^2
• Rotatable Bonds: 4