N,8-dimethyl-3-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 676991
• Molecular Formular: C24H30N4O
• Molecular Mass: 390.5212
• Monoisotopic Mass: 390.2419616
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1C(CCC1)C)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CC1CCCN1Cc1c(nc2n1cccc2C)C(=O)N(CCc1ccccc1)C
• InChI: InChI=1S/C24H30N4O/c1-18-9-7-15-28-21(17-27-14-8-10-19(27)2)22(25-23(18)28)24(29)26(3)16-13-20-11-5-4-6-12-20/h4-7,9,11-12,15,19H,8,10,13-14,16-17H2,1-3H3
• InChIKey: FWOWIJSJCLNSMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,8-dimethyl-3-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N,8-dimethyl-3-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N,8-dimethyl-3-[(2-methylpyrrolidin-1-yl)methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0432457
• LogD (pH = 7.4): 2.8175879
• Log P: 3.6537182
• Molar Refractivity: 119.225 cm^3
• Polarizability: 44.864735 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.1
• LOG S: -4.69
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6