N,N-dimethyl-1-[({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amino)methyl]cyclohexan-1-amine

• ChemBase ID: 606385
• Molecular Formular: C22H33N5O2
• Molecular Mass: 399.52972
• Monoisotopic Mass: 399.26342532
• SMILES: c1(nc2n(c1CNCC1(N(C)C)CCCCC1)cccc2)C(=O)N1CCOCC1
• Canonical SMILES: CN(C1(CNCc2c(nc3n2cccc3)C(=O)N2CCOCC2)CCCCC1)C
• InChI: InChI=1S/C22H33N5O2/c1-25(2)22(9-5-3-6-10-22)17-23-16-18-20(21(28)26-12-14-29-15-13-26)24-19-8-4-7-11-27(18)19/h4,7-8,11,23H,3,5-6,9-10,12-17H2,1-2H3
• InChIKey: IOITZCWKCIKNEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1-[({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amino)methyl]cyclohexan-1-amine
• IUPAC Traditional name: N,N-dimethyl-1-[({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amino)methyl]cyclohexan-1-amine
• Synonyms: N,N-dimethyl-1-[({[2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amino)methyl]cyclohexanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.157312
• LogD (pH = 7.4): -0.82336754
• Log P: 1.4449254
• Molar Refractivity: 115.5591 cm^3
• Polarizability: 44.194233 Å^3
• Polar Surface Area: 62.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.95
• LOG S: -2.09
• Polar Surface Area: 62.11 Å^2
• Rotatable Bonds: 5