N-[3-(2,3-dihydro-1H-isoindol-2-yl)propyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 587594
• Molecular Formular: C20H22N4O
• Molecular Mass: 334.41488
• Monoisotopic Mass: 334.17936134
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCCCN1Cc2c(C1)cccc2
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NCCCN1Cc2c(C1)cccc2
• InChI: InChI=1S/C20H22N4O/c1-15-7-8-19-22-18(14-24(19)11-15)20(25)21-9-4-10-23-12-16-5-2-3-6-17(16)13-23/h2-3,5-8,11,14H,4,9-10,12-13H2,1H3,(H,21,25)
• InChIKey: AFIAYZIVTSJTAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2,3-dihydro-1H-isoindol-2-yl)propyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[3-(1,3-dihydroisoindol-2-yl)propyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-[3-(1,3-dihydro-2H-isoindol-2-yl)propyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.6771555
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.074506
• LogD (pH = 7.4): 1.7934697
• Log P: 2.2874422
• Molar Refractivity: 100.6324 cm^3
• Polarizability: 37.48458 Å^3
• Polar Surface Area: 49.64 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: 2.65
• LOG S: -3.9
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5