(2R)-N-[1-methyl-4-(pyridin-3-yloxy)-1H-indazol-3-yl]oxolane-2-carboxamide

• ChemBase ID: 729303
• Molecular Formular: C18H18N4O3
• Molecular Mass: 338.36052
• Monoisotopic Mass: 338.13789046
• SMILES: c1(nn(c2c1c(Oc1cnccc1)ccc2)C)NC(=O)[C@@H]1OCCC1
• Canonical SMILES: O=C([C@H]1CCCO1)Nc1nn(c2c1c(ccc2)Oc1cccnc1)C
• InChI: InChI=1S/C18H18N4O3/c1-22-13-6-2-7-14(25-12-5-3-9-19-11-12)16(13)17(21-22)20-18(23)15-8-4-10-24-15/h2-3,5-7,9,11,15H,4,8,10H2,1H3,(H,20,21,23)/t15-/m1/s1
• InChIKey: JHUMWBCSFQQTLY-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-N-[1-methyl-4-(pyridin-3-yloxy)-1H-indazol-3-yl]oxolane-2-carboxamide
• IUPAC Traditional name: (2R)-N-[1-methyl-4-(pyridin-3-yloxy)indazol-3-yl]oxolane-2-carboxamide
• Synonyms: (2R)-N-[1-methyl-4-(pyridin-3-yloxy)-1H-indazol-3-yl]tetrahydrofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.90023
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9315836
• LogD (pH = 7.4): 1.9776382
• Log P: 1.9783986
• Molar Refractivity: 104.2892 cm^3
• Polarizability: 36.205093 Å^3
• Polar Surface Area: 78.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.08
• LOG S: -3.44
• Polar Surface Area: 78.27 Å^2
• Rotatable Bonds: 4