6-[(diethylamino)methyl]-N-{imidazo[1,2-a]pyridin-3-ylmethyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 756133
• Molecular Formular: C20H23N7O
• Molecular Mass: 377.44292
• Monoisotopic Mass: 377.19640839
• SMILES: c12c(cnn1cc(cn2)CN(CC)CC)C(=O)NCc1n2c(nc1)cccc2
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)NCc1cnc2n1cccc2)CC
• InChI: InChI=1S/C20H23N7O/c1-3-25(4-2)13-15-9-22-19-17(12-24-27(19)14-15)20(28)23-11-16-10-21-18-7-5-6-8-26(16)18/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,28)
• InChIKey: WJLPJARLGRIRMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(diethylamino)methyl]-N-{imidazo[1,2-a]pyridin-3-ylmethyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: 6-[(diethylamino)methyl]-N-{imidazo[1,2-a]pyridin-3-ylmethyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: 6-[(diethylamino)methyl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.799002
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.6517384
• LogD (pH = 7.4): -0.2769883
• Log P: 0.81307954
• Molar Refractivity: 120.1571 cm^3
• Polarizability: 40.354736 Å^3
• Polar Surface Area: 79.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.14
• LOG S: -3.78
• Polar Surface Area: 79.83 Å^2
• Rotatable Bonds: 7