N-[1-(thiophene-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 726057
• Molecular Formular: C18H18N4O2S
• Molecular Mass: 354.42612
• Monoisotopic Mass: 354.11504684
• SMILES: c1(n2c(ccn2)ccc1)C(=O)NC1CN(C(=O)c2sccc2)CCC1
• Canonical SMILES: O=C(c1cccc2n1ncc2)NC1CCCN(C1)C(=O)c1cccs1
• InChI: InChI=1S/C18H18N4O2S/c23-17(15-6-1-5-14-8-9-19-22(14)15)20-13-4-2-10-21(12-13)18(24)16-7-3-11-25-16/h1,3,5-9,11,13H,2,4,10,12H2,(H,20,23)
• InChIKey: UKXOGNGEPZCVBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(thiophene-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[1-(thiophene-2-carbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[1-(2-thienylcarbonyl)piperidin-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.770559
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9756047
• LogD (pH = 7.4): 1.975659
• Log P: 1.9756597
• Molar Refractivity: 106.8924 cm^3
• Polarizability: 36.387794 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.39
• LOG S: -2.97
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 3