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

• ChemBase ID: 688092
• Molecular Formular: C24H30N6O
• Molecular Mass: 418.5346
• Monoisotopic Mass: 418.24810961
• SMILES: c1(nc2n(c1CNCCCn1ncc3c1cccc3)cccc2)C(=O)N(CCCC)C
• Canonical SMILES: CCCCN(C(=O)c1nc2n(c1CNCCCn1ncc3c1cccc3)cccc2)C
• InChI: InChI=1S/C24H30N6O/c1-3-4-14-28(2)24(31)23-21(29-15-8-7-12-22(29)27-23)18-25-13-9-16-30-20-11-6-5-10-19(20)17-26-30/h5-8,10-12,15,17,25H,3-4,9,13-14,16,18H2,1-2H3
• InChIKey: OILXVQRPYDFDGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.38913023
• LogD (pH = 7.4): 1.1954035
• Log P: 2.5540597
• Molar Refractivity: 135.6208 cm^3
• Polarizability: 48.063816 Å^3
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.95
• LOG S: -4.95
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 8