1-cyclohexyl-4-[3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazine

• ChemBase ID: 588978
• Molecular Formular: C23H33N5O
• Molecular Mass: 395.54102
• Monoisotopic Mass: 395.2685107
• SMILES: c1(c(n2c(n1)cccc2)CN1CCCC1)C(=O)N1CCN(CC1)C1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1CN1CCCC1)cccc2)N1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C23H33N5O/c29-23(27-16-14-26(15-17-27)19-8-2-1-3-9-19)22-20(18-25-11-6-7-12-25)28-13-5-4-10-21(28)24-22/h4-5,10,13,19H,1-3,6-9,11-12,14-18H2
• InChIKey: JNILZEKSKJKOKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-4-[3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazine
• IUPAC Traditional name: 1-cyclohexyl-4-[3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazine
• Synonyms: 2-[(4-cyclohexyl-1-piperazinyl)carbonyl]-3-(1-pyrrolidinylmethyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.435613
• LogD (pH = 7.4): 1.0652934
• Log P: 2.3569777
• Molar Refractivity: 117.4617 cm^3
• Polarizability: 44.61455 Å^3
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.03
• LOG S: -2.44
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 4