N-butyl-N-methyl-3-({methyl[(1-methylpiperidin-2-yl)methyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 662321
• Molecular Formular: C22H35N5O
• Molecular Mass: 385.5462
• Monoisotopic Mass: 385.28416077
• SMILES: c1(c(n2c(n1)cccc2)CN(CC1N(C)CCCC1)C)C(=O)N(CCCC)C
• Canonical SMILES: CCCCN(C(=O)c1nc2n(c1CN(CC1CCCCN1C)C)cccc2)C
• InChI: InChI=1S/C22H35N5O/c1-5-6-13-26(4)22(28)21-19(27-15-10-8-12-20(27)23-21)17-24(2)16-18-11-7-9-14-25(18)3/h8,10,12,15,18H,5-7,9,11,13-14,16-17H2,1-4H3
• InChIKey: QOKZDOIUPDKVSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-N-methyl-3-({methyl[(1-methylpiperidin-2-yl)methyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-butyl-N-methyl-3-({methyl[(1-methylpiperidin-2-yl)methyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-butyl-N-methyl-3-({methyl[(1-methyl-2-piperidinyl)methyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.80981874
• LogD (pH = 7.4): 0.7372769
• Log P: 2.5574667
• Molar Refractivity: 116.5613 cm^3
• Polarizability: 44.2333 Å^3
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.94
• LOG S: -1.39
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 6