N-[1-methyl-4-(pyridin-3-yloxy)-1H-indazol-3-yl]-1-propyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 690986
• Molecular Formular: C20H20N6O2
• Molecular Mass: 376.4118
• Monoisotopic Mass: 376.16477391
• SMILES: c1(nn(c2c1c(Oc1cnccc1)ccc2)C)NC(=O)c1n(ncc1)CCC
• Canonical SMILES: CCCn1nccc1C(=O)Nc1nn(c2c1c(ccc2)Oc1cccnc1)C
• InChI: InChI=1S/C20H20N6O2/c1-3-12-26-16(9-11-22-26)20(27)23-19-18-15(25(2)24-19)7-4-8-17(18)28-14-6-5-10-21-13-14/h4-11,13H,3,12H2,1-2H3,(H,23,24,27)
• InChIKey: AWUAWHGWXYOWDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-methyl-4-(pyridin-3-yloxy)-1H-indazol-3-yl]-1-propyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-[1-methyl-4-(pyridin-3-yloxy)indazol-3-yl]-2-propylpyrazole-3-carboxamide
• Synonyms: N-[1-methyl-4-(pyridin-3-yloxy)-1H-indazol-3-yl]-1-propyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.250132
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5693107
• LogD (pH = 7.4): 2.6154964
• Log P: 2.6161323
• Molar Refractivity: 129.2735 cm^3
• Polarizability: 40.705647 Å^3
• Polar Surface Area: 86.86 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.75
• LOG S: -4.29
• Polar Surface Area: 86.86 Å^2
• Rotatable Bonds: 6