N-{[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 676216
• Molecular Formular: C19H22N6O2
• Molecular Mass: 366.41698
• Monoisotopic Mass: 366.18042397
• SMILES: c1(c2n(nc1)cccc2)C(=O)NCC1CCN(c2cc(=O)n(nc2)C)CC1
• Canonical SMILES: O=C(c1cnn2c1cccc2)NCC1CCN(CC1)c1cnn(c(=O)c1)C
• InChI: InChI=1S/C19H22N6O2/c1-23-18(26)10-15(12-21-23)24-8-5-14(6-9-24)11-20-19(27)16-13-22-25-7-3-2-4-17(16)25/h2-4,7,10,12-14H,5-6,8-9,11H2,1H3,(H,20,27)
• InChIKey: PWNIDTADWVLECW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-{[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-{[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidin-4-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.613587
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.47705132
• LogD (pH = 7.4): 0.4770628
• Log P: 0.47706318
• Molar Refractivity: 114.7858 cm^3
• Polarizability: 38.436348 Å^3
• Polar Surface Area: 82.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.23
• LOG S: -2.92
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 4