N-[4-(furan-2-yl)butan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 667766
• Molecular Formular: C16H17N3O2
• Molecular Mass: 283.32508
• Monoisotopic Mass: 283.1320768
• SMILES: c1(n2c(ccn2)ccc1)C(=O)NC(CCc1occc1)C
• Canonical SMILES: CC(NC(=O)c1cccc2n1ncc2)CCc1ccco1
• InChI: InChI=1S/C16H17N3O2/c1-12(7-8-14-5-3-11-21-14)18-16(20)15-6-2-4-13-9-10-17-19(13)15/h2-6,9-12H,7-8H2,1H3,(H,18,20)
• InChIKey: JTBNWIBSQGKPFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-yl)butan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[4-(furan-2-yl)butan-2-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[3-(2-furyl)-1-methylpropyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.792067
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2760627
• LogD (pH = 7.4): 2.2761168
• Log P: 2.2761176
• Molar Refractivity: 90.7628 cm^3
• Polarizability: 30.610773 Å^3
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.45
• LOG S: -3.36
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 5