N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 445940
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: c1(nc2n(c1)cccc2)C(=O)NCCCN1c2c(CC1)cccc2
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)NCCCN1CCc2c1cccc2
• InChI: InChI=1S/C19H20N4O/c24-19(16-14-23-11-4-3-8-18(23)21-16)20-10-5-12-22-13-9-15-6-1-2-7-17(15)22/h1-4,6-8,11,14H,5,9-10,12-13H2,(H,20,24)
• InChIKey: ZVGAYMDUDUODIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-[3-(2,3-dihydroindol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-[3-(2,3-dihydro-1H-indol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.67982
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1670632
• LogD (pH = 7.4): 2.228495
• Log P: 2.229329
• Molar Refractivity: 96.2321 cm^3
• Polarizability: 35.26096 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: 2
• H Donor: 1
• Log P: 2.69
• LOG S: -3.83
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5