2-[4-(3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}propanoyl)morpholin-3-yl]acetamide

• ChemBase ID: 357321
• Molecular Formular: C16H21N5O3
• Molecular Mass: 331.36964
• Monoisotopic Mass: 331.16443956
• SMILES: n1(c(nc2c1nccc2)CCC(=O)N1C(CC(=O)N)COCC1)C
• Canonical SMILES: NC(=O)CC1COCCN1C(=O)CCc1nc2c(n1C)nccc2
• InChI: InChI=1S/C16H21N5O3/c1-20-14(19-12-3-2-6-18-16(12)20)4-5-15(23)21-7-8-24-10-11(21)9-13(17)22/h2-3,6,11H,4-5,7-10H2,1H3,(H2,17,22)
• InChIKey: IFNRRWPGQHNYRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}propanoyl)morpholin-3-yl]acetamide
• IUPAC Traditional name: 2-[4-(3-{3-methylimidazo[4,5-b]pyridin-2-yl}propanoyl)morpholin-3-yl]acetamide
• Synonyms: 2-{4-[3-(3-methyl-3H-imidazo[4,5-b]pyridin-2-yl)propanoyl]-3-morpholinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.05225
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0296263
• LogD (pH = 7.4): -1.0293765
• Log P: -1.0293733
• Molar Refractivity: 85.9614 cm^3
• Polarizability: 33.85004 Å^3
• Polar Surface Area: 103.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.87
• LOG S: -2.18
• Polar Surface Area: 103.34 Å^2
• Rotatable Bonds: 5