butyl({[2-(4-cyclohexylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})methylamine

• ChemBase ID: 511945
• Molecular Formular: C24H37N5O
• Molecular Mass: 411.58348
• Monoisotopic Mass: 411.29981083
• SMILES: c1(c(n2c(n1)cccc2)CN(CCCC)C)C(=O)N1CCN(CC1)C1CCCCC1
• Canonical SMILES: CCCCN(Cc1c(nc2n1cccc2)C(=O)N1CCN(CC1)C1CCCCC1)C
• InChI: InChI=1S/C24H37N5O/c1-3-4-13-26(2)19-21-23(25-22-12-8-9-14-29(21)22)24(30)28-17-15-27(16-18-28)20-10-6-5-7-11-20/h8-9,12,14,20H,3-7,10-11,13,15-19H2,1-2H3
• InChIKey: YJXDTWKPCHZIJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl({[2-(4-cyclohexylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})methylamine
• IUPAC Traditional name: butyl({[2-(4-cyclohexylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})methylamine
• Synonyms: N-({2-[(4-cyclohexyl-1-piperazinyl)carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)-N-methyl-1-butanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8273548
• LogD (pH = 7.4): 1.6876196
• Log P: 3.2750793
• Molar Refractivity: 123.7943 cm^3
• Polarizability: 47.188305 Å^3
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.98
• LOG S: -2.84
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 5