methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl){[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl}amine

• ChemBase ID: 843074
• Molecular Formular: C21H28N4S
• Molecular Mass: 368.53882
• Monoisotopic Mass: 368.20346792
• SMILES: c1(n2c(nc1C)cccc2)CN(Cc1scc(c1)CN1CCCCC1)C
• Canonical SMILES: CN(Cc1c(C)nc2n1cccc2)Cc1scc(c1)CN1CCCCC1
• InChI: InChI=1S/C21H28N4S/c1-17-20(25-11-7-4-8-21(25)22-17)15-23(2)14-19-12-18(16-26-19)13-24-9-5-3-6-10-24/h4,7-8,11-12,16H,3,5-6,9-10,13-15H2,1-2H3
• InChIKey: WOSBARSIFCQHOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl){[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl}amine
• IUPAC Traditional name: methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl){[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl}amine
• Synonyms: N-methyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-{[4-(piperidin-1-ylmethyl)-2-thienyl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.9363122
• LogD (pH = 7.4): 1.5284876
• Log P: 3.1814349
• Molar Refractivity: 111.1353 cm^3
• Polarizability: 42.195084 Å^3
• Polar Surface Area: 23.78 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: 3.65
• LOG S: -4.0
• Polar Surface Area: 23.78 Å^2
• Rotatable Bonds: 6