N-[1-(furan-2-carbonyl)piperidin-3-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 692915
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)NC1CN(C(=O)c2occc2)CCC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)NC1CCCN(C1)C(=O)c1ccco1
• InChI: InChI=1S/C19H20N4O3/c1-13-6-8-22-12-15(21-17(22)10-13)18(24)20-14-4-2-7-23(11-14)19(25)16-5-3-9-26-16/h3,5-6,8-10,12,14H,2,4,7,11H2,1H3,(H,20,24)
• InChIKey: PZPZIMNBMRLADJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(furan-2-carbonyl)piperidin-3-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[1-(furan-2-carbonyl)piperidin-3-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-[1-(2-furoyl)piperidin-3-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.762313
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3537804
• LogD (pH = 7.4): 1.3586001
• Log P: 1.358662
• Molar Refractivity: 97.1436 cm^3
• Polarizability: 35.717278 Å^3
• Polar Surface Area: 79.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.59
• LOG S: -3.13
• Polar Surface Area: 79.85 Å^2
• Rotatable Bonds: 3