1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,4-diazepan-5-one

• ChemBase ID: 698357
• Molecular Formular: C24H25ClN4O2
• Molecular Mass: 436.9339
• Monoisotopic Mass: 436.16660374
• SMILES: C1(C(=O)N2CCC(=O)N(Cc3nc4n(c3)cccc4C)CC2)(CC1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)C1(CC1)C(=O)N1CCN(C(=O)CC1)Cc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C24H25ClN4O2/c1-17-3-2-11-29-16-20(26-22(17)29)15-28-14-13-27(12-8-21(28)30)23(31)24(9-10-24)18-4-6-19(25)7-5-18/h2-7,11,16H,8-10,12-15H2,1H3
• InChIKey: GICSCERBOAXICY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,4-diazepan-5-one
• IUPAC Traditional name: 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,4-diazepan-5-one
• Synonyms: 1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0787323
• LogD (pH = 7.4): 2.7559817
• Log P: 2.7802737
• Molar Refractivity: 120.4999 cm^3
• Polarizability: 45.888046 Å^3
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.08
• LOG S: -3.48
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 4