N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 838418
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: n12c(C(=O)NCC(c3oc(cc3)C)N3CCOCC3)cccc1ccn2
• Canonical SMILES: Cc1ccc(o1)C(N1CCOCC1)CNC(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C19H22N4O3/c1-14-5-6-18(26-14)17(22-9-11-25-12-10-22)13-20-19(24)16-4-2-3-15-7-8-21-23(15)16/h2-8,17H,9-13H2,1H3,(H,20,24)
• InChIKey: QGTUQPYUXIEALJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[2-(5-methyl-2-furyl)-2-morpholin-4-ylethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.663424
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0011963
• LogD (pH = 7.4): 1.3352315
• Log P: 1.3416927
• Molar Refractivity: 108.7475 cm^3
• Polarizability: 37.55815 Å^3
• Polar Surface Area: 72.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.57
• LOG S: -2.27
• Polar Surface Area: 72.01 Å^2
• Rotatable Bonds: 5