{[2-(4-cyclohexylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}(methyl)(prop-2-en-1-yl)amine

• ChemBase ID: 829927
• Molecular Formular: C23H33N5O
• Molecular Mass: 395.54102
• Monoisotopic Mass: 395.2685107
• SMILES: c1(c(n2c(n1)cccc2)CN(CC=C)C)C(=O)N1CCN(CC1)C1CCCCC1
• Canonical SMILES: C=CCN(Cc1c(nc2n1cccc2)C(=O)N1CCN(CC1)C1CCCCC1)C
• InChI: InChI=1S/C23H33N5O/c1-3-12-25(2)18-20-22(24-21-11-7-8-13-28(20)21)23(29)27-16-14-26(15-17-27)19-9-5-4-6-10-19/h3,7-8,11,13,19H,1,4-6,9-10,12,14-18H2,2H3
• InChIKey: OWDVRXFLMCIZGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(4-cyclohexylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}(methyl)(prop-2-en-1-yl)amine
• IUPAC Traditional name: {[2-(4-cyclohexylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}(methyl)prop-2-en-1-ylamine
• Synonyms: N-({2-[(4-cyclohexylpiperazin-1-yl)carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)-N-methylprop-2-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.55665
• LogD (pH = 7.4): 1.7615905
• Log P: 2.68243
• Molar Refractivity: 119.0834 cm^3
• Polarizability: 45.105366 Å^3
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.7
• LOG S: -4.39
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 6