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

• ChemBase ID: 493538
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c1(c(n2c(n1)cccc2)CN(Cc1cnccc1)C)C(=O)N1CCOCC1
• Canonical SMILES: CN(Cc1c(nc2n1cccc2)C(=O)N1CCOCC1)Cc1cccnc1
• InChI: InChI=1S/C20H23N5O2/c1-23(14-16-5-4-7-21-13-16)15-17-19(20(26)24-9-11-27-12-10-24)22-18-6-2-3-8-25(17)18/h2-8,13H,9-12,14-15H2,1H3
• InChIKey: KYOXFIHEJCRMKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: methyl({[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})(pyridin-3-ylmethyl)amine
• Synonyms: N-methyl-1-[2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.9322634
• LogD (pH = 7.4): 0.44292855
• Log P: 0.5930903
• Molar Refractivity: 104.3866 cm^3
• Polarizability: 39.201035 Å^3
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.43
• LOG S: -1.51
• Polar Surface Area: 62.97 Å^2
• Rotatable Bonds: 5