N-butyl-3-({[2-(1H-indol-1-yl)ethyl]amino}methyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 394564
• Molecular Formular: C24H29N5O
• Molecular Mass: 403.51996
• Monoisotopic Mass: 403.23721057
• SMILES: c1(nc2n(c1CNCCn1ccc3c1cccc3)cccc2)C(=O)N(CCCC)C
• Canonical SMILES: CCCCN(C(=O)c1nc2n(c1CNCCn1ccc3c1cccc3)cccc2)C
• InChI: InChI=1S/C24H29N5O/c1-3-4-14-27(2)24(30)23-21(29-15-8-7-11-22(29)26-23)18-25-13-17-28-16-12-19-9-5-6-10-20(19)28/h5-12,15-16,25H,3-4,13-14,17-18H2,1-2H3
• InChIKey: KJJPBSTYBZMQKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-3-({[2-(1H-indol-1-yl)ethyl]amino}methyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-butyl-3-({[2-(indol-1-yl)ethyl]amino}methyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-butyl-3-({[2-(1H-indol-1-yl)ethyl]amino}methyl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6669986
• LogD (pH = 7.4): 2.3764021
• Log P: 3.3698
• Molar Refractivity: 121.5075 cm^3
• Polarizability: 47.129555 Å^3
• Polar Surface Area: 54.57 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.51
• LOG S: -5.04
• Polar Surface Area: 54.57 Å^2
• Rotatable Bonds: 7