N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide

• ChemBase ID: 645611
• Molecular Formular: C18H23N5O
• Molecular Mass: 325.40812
• Monoisotopic Mass: 325.19026038
• SMILES: c12n(c(cn1)CNC(=O)C(n1c(ncc1)C(C)C)C)cccc2C
• Canonical SMILES: O=C(C(n1ccnc1C(C)C)C)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C18H23N5O/c1-12(2)16-19-7-9-22(16)14(4)18(24)21-11-15-10-20-17-13(3)6-5-8-23(15)17/h5-10,12,14H,11H2,1-4H3,(H,21,24)
• InChIKey: UVDICDXRRBZPCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: 2-(2-isopropylimidazol-1-yl)-N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)propanamide
• Synonyms: 2-(2-isopropyl-1H-imidazol-1-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.678213
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.13929644
• LogD (pH = 7.4): 1.6760113
• Log P: 1.852719
• Molar Refractivity: 94.2587 cm^3
• Polarizability: 35.474987 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.85
• LOG S: -3.15
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 5