N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide

• ChemBase ID: 425974
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1oc(cc1)CN1CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)Cc1ccc(o1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C19H26N4O2/c1-14-7-10-22(11-8-14)13-15-5-6-16(25-15)19(24)21-18-12-20-17-4-2-3-9-23(17)18/h5-6,12,14H,2-4,7-11,13H2,1H3,(H,21,24)
• InChIKey: FXMRTLDYSWGISF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
• Synonyms: 5-[(4-methylpiperidin-1-yl)methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.371464
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.93191916
• LogD (pH = 7.4): 1.4453449
• Log P: 2.113294
• Molar Refractivity: 98.135 cm^3
• Polarizability: 36.798046 Å^3
• Polar Surface Area: 63.3 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: 2.6
• LOG S: -3.92
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 4