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

• ChemBase ID: 671339
• Molecular Formular: C19H21N7O
• Molecular Mass: 363.41634
• Monoisotopic Mass: 363.18075833
• SMILES: c12c(C(=O)Nc3cc4[nH]ncc4cc3)cnn1cc(cn2)CN(CC)CC
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)Nc1ccc2c(c1)[nH]nc2)CC
• InChI: InChI=1S/C19H21N7O/c1-3-25(4-2)11-13-8-20-18-16(10-22-26(18)12-13)19(27)23-15-6-5-14-9-21-24-17(14)7-15/h5-10,12H,3-4,11H2,1-2H3,(H,21,24)(H,23,27)
• InChIKey: CYPLRZUUDNZNNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.1435995
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.101653
• LogD (pH = 7.4): 0.6587279
• Log P: 1.722932
• Molar Refractivity: 117.3621 cm^3
• Polarizability: 40.046562 Å^3
• Polar Surface Area: 91.21 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.38
• LOG S: -3.28
• Polar Surface Area: 91.21 Å^2
• Rotatable Bonds: 6