N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxamide

• ChemBase ID: 713654
• Molecular Formular: C18H24N6O2
• Molecular Mass: 356.42216
• Monoisotopic Mass: 356.19607404
• SMILES: n1nc2c(n1C)ncc(C(=O)NC1CC(=O)N(C1)C1CCCCCC1)c2
• Canonical SMILES: O=C1CC(CN1C1CCCCCC1)NC(=O)c1cnc2c(c1)nnn2C
• InChI: InChI=1S/C18H24N6O2/c1-23-17-15(21-22-23)8-12(10-19-17)18(26)20-13-9-16(25)24(11-13)14-6-4-2-3-5-7-14/h8,10,13-14H,2-7,9,11H2,1H3,(H,20,26)
• InChIKey: GYNBKLFWTDMBON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxamide
• IUPAC Traditional name: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-methyl-[1,2,3]triazolo[4,5-b]pyridine-6-carboxamide
• Synonyms: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-3-methyl-3H-[1,2,3]triazolo[4,5-b]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.238208
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1365503
• LogD (pH = 7.4): 1.136551
• Log P: 1.1365511
• Molar Refractivity: 106.7609 cm^3
• Polarizability: 36.858463 Å^3
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.04
• LOG S: -2.69
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 3