N-[2-(dimethylamino)ethyl]-2-methyl-7-oxo-N-(oxolan-2-ylmethyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

• ChemBase ID: 523720
• Molecular Formular: C17H25N5O3
• Molecular Mass: 347.4121
• Monoisotopic Mass: 347.19573969
• SMILES: n12c(=O)c(C(=O)N(CC3OCCC3)CCN(C)C)c[nH]c1cc(n2)C
• Canonical SMILES: CN(CCN(C(=O)c1c[nH]c2n(c1=O)nc(c2)C)CC1CCCO1)C
• InChI: InChI=1S/C17H25N5O3/c1-12-9-15-18-10-14(17(24)22(15)19-12)16(23)21(7-6-20(2)3)11-13-5-4-8-25-13/h9-10,13,18H,4-8,11H2,1-3H3
• InChIKey: PZQDCTYSRWDALL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-2-methyl-7-oxo-N-(oxolan-2-ylmethyl)-4H,7H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-2-methyl-7-oxo-N-(oxolan-2-ylmethyl)-4H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
• Synonyms: N-[2-(dimethylamino)ethyl]-2-methyl-7-oxo-N-(tetrahydrofuran-2-ylmethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.883695
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.9524016
• LogD (pH = 7.4): -1.1971362
• Log P: -0.09817713
• Molar Refractivity: 95.3821 cm^3
• Polarizability: 35.801826 Å^3
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.45
• LOG S: -1.8
• Polar Surface Area: 82.94 Å^2
• Rotatable Bonds: 6