N-butyl-N-methyl-3-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 317527
• Molecular Formular: C23H29N5O2S
• Molecular Mass: 439.57366
• Monoisotopic Mass: 439.20419619
• SMILES: c1(c(n2c(n1)cccc2)CN1CCN(C(=O)c2sccc2)CC1)C(=O)N(CCCC)C
• Canonical SMILES: CCCCN(C(=O)c1nc2n(c1CN1CCN(CC1)C(=O)c1cccs1)cccc2)C
• InChI: InChI=1S/C23H29N5O2S/c1-3-4-10-25(2)23(30)21-18(28-11-6-5-9-20(28)24-21)17-26-12-14-27(15-13-26)22(29)19-8-7-16-31-19/h5-9,11,16H,3-4,10,12-15,17H2,1-2H3
• InChIKey: LNPNVLBSFPITDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-N-methyl-3-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-butyl-N-methyl-3-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-butyl-N-methyl-3-{[4-(2-thienylcarbonyl)-1-piperazinyl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1754873
• LogD (pH = 7.4): 2.4644947
• Log P: 2.4697587
• Molar Refractivity: 124.6117 cm^3
• Polarizability: 46.449745 Å^3
• Polar Surface Area: 61.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.29
• LOG S: -2.95
• Polar Surface Area: 61.16 Å^2
• Rotatable Bonds: 5