N-{[6-(morpholin-4-yl)pyrimidin-4-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 835059
• Molecular Formular: C17H22N6O2
• Molecular Mass: 342.39558
• Monoisotopic Mass: 342.18042397
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCc1cc(N2CCOCC2)ncn1
• Canonical SMILES: O=C(c1cnn2c1CCCC2)NCc1ncnc(c1)N1CCOCC1
• InChI: InChI=1S/C17H22N6O2/c24-17(14-11-21-23-4-2-1-3-15(14)23)18-10-13-9-16(20-12-19-13)22-5-7-25-8-6-22/h9,11-12H,1-8,10H2,(H,18,24)
• InChIKey: BUURYBBRRTXRQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[6-(morpholin-4-yl)pyrimidin-4-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-{[6-(morpholin-4-yl)pyrimidin-4-yl]methyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.530073
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.50997406
• LogD (pH = 7.4): 0.53465295
• Log P: 0.5349773
• Molar Refractivity: 106.0509 cm^3
• Polarizability: 34.62154 Å^3
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.23
• LOG S: -2.81
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 4