N-butyl-N-methyl-3-({methyl[3-(morpholin-4-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 573094
• Molecular Formular: C22H35N5O2
• Molecular Mass: 401.5456
• Monoisotopic Mass: 401.27907539
• SMILES: c1(c(n2c(n1)cccc2)CN(CCCN1CCOCC1)C)C(=O)N(CCCC)C
• Canonical SMILES: CCCCN(C(=O)c1nc2n(c1CN(CCCN1CCOCC1)C)cccc2)C
• InChI: InChI=1S/C22H35N5O2/c1-4-5-11-25(3)22(28)21-19(27-13-7-6-9-20(27)23-21)18-24(2)10-8-12-26-14-16-29-17-15-26/h6-7,9,13H,4-5,8,10-12,14-18H2,1-3H3
• InChIKey: DXGJUTVGULPHHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-N-methyl-3-({methyl[3-(morpholin-4-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-butyl-N-methyl-3-({methyl[3-(morpholin-4-yl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-butyl-N-methyl-3-({methyl[3-(4-morpholinyl)propyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.7355335
• LogD (pH = 7.4): 0.48506382
• Log P: 1.4887929
• Molar Refractivity: 118.689 cm^3
• Polarizability: 44.921867 Å^3
• Polar Surface Area: 53.32 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.06
• LOG S: -0.35
• Polar Surface Area: 53.32 Å^2
• Rotatable Bonds: 8