N-(2-fluoroethyl)-2-(1-{[3-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}cyclopentyl)acetamide

• ChemBase ID: 536550
• Molecular Formular: C20H29FN4O
• Molecular Mass: 360.4688632
• Monoisotopic Mass: 360.23253979
• SMILES: n1(c(nc2c1nccc2)CC1(CC(=O)NCCF)CCCC1)CC(C)C
• Canonical SMILES: FCCNC(=O)CC1(CCCC1)Cc1nc2c(n1CC(C)C)nccc2
• InChI: InChI=1S/C20H29FN4O/c1-15(2)14-25-17(24-16-6-5-10-23-19(16)25)12-20(7-3-4-8-20)13-18(26)22-11-9-21/h5-6,10,15H,3-4,7-9,11-14H2,1-2H3,(H,22,26)
• InChIKey: HXXMSODKSVCXMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoroethyl)-2-(1-{[3-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}cyclopentyl)acetamide
• IUPAC Traditional name: N-(2-fluoroethyl)-2-(1-{[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl}cyclopentyl)acetamide
• Synonyms: N-(2-fluoroethyl)-2-{1-[(3-isobutyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]cyclopentyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.074326
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8997374
• LogD (pH = 7.4): 2.899967
• Log P: 2.8999698
• Molar Refractivity: 99.0827 cm^3
• Polarizability: 38.95618 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.9
• LOG S: -5.53
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 8