N-butyl-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 578140
• Molecular Formular: C19H29N5O
• Molecular Mass: 343.46646
• Monoisotopic Mass: 343.23721057
• SMILES: c1(c(n2c(n1)cccc2)CN1CCN(CC1)C)C(=O)N(CCCC)C
• Canonical SMILES: CCCCN(C(=O)c1nc2n(c1CN1CCN(CC1)C)cccc2)C
• InChI: InChI=1S/C19H29N5O/c1-4-5-9-22(3)19(25)18-16(15-23-13-11-21(2)12-14-23)24-10-7-6-8-17(24)20-18/h6-8,10H,4-5,9,11-15H2,1-3H3
• InChIKey: KDWLEGYQCALTPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-butyl-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-butyl-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.90673697
• LogD (pH = 7.4): 0.8463106
• Log P: 1.4758086
• Molar Refractivity: 102.7801 cm^3
• Polarizability: 38.704754 Å^3
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.28
• LOG S: -3.25
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 6