6-[(diethylamino)methyl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 376094
• Molecular Formular: C18H25N7O
• Molecular Mass: 355.4374
• Monoisotopic Mass: 355.21205846
• SMILES: c12c(cnn1cc(cn2)CN(CC)CC)C(=O)NCCn1c(ncc1)C
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)NCCn1ccnc1C)CC
• InChI: InChI=1S/C18H25N7O/c1-4-23(5-2)12-15-10-21-17-16(11-22-25(17)13-15)18(26)20-7-9-24-8-6-19-14(24)3/h6,8,10-11,13H,4-5,7,9,12H2,1-3H3,(H,20,26)
• InChIKey: IUGQMMVTCQSVFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(diethylamino)methyl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: 6-[(diethylamino)methyl]-N-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: 6-[(diethylamino)methyl]-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.769931
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.4241457
• LogD (pH = 7.4): -0.8934154
• Log P: 0.41229331
• Molar Refractivity: 112.1698 cm^3
• Polarizability: 37.82719 Å^3
• Polar Surface Area: 80.35 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.88
• LOG S: -2.54
• Polar Surface Area: 80.35 Å^2
• Rotatable Bonds: 8