N-[1-methyl-4-(pyridin-3-yloxy)-1H-indazol-3-yl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 666138
• Molecular Formular: C17H13N5O3
• Molecular Mass: 335.31682
• Monoisotopic Mass: 335.1018393
• SMILES: c1(nn(c2c1c(Oc1cnccc1)ccc2)C)NC(=O)c1ncoc1
• Canonical SMILES: O=C(c1cocn1)Nc1nn(c2c1c(ccc2)Oc1cccnc1)C
• InChI: InChI=1S/C17H13N5O3/c1-22-13-5-2-6-14(25-11-4-3-7-18-8-11)15(13)16(21-22)20-17(23)12-9-24-10-19-12/h2-10H,1H3,(H,20,21,23)
• InChIKey: CPNQIHYAEQJHIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-methyl-4-(pyridin-3-yloxy)-1H-indazol-3-yl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-[1-methyl-4-(pyridin-3-yloxy)indazol-3-yl]-1,3-oxazole-4-carboxamide
• Synonyms: N-[1-methyl-4-(pyridin-3-yloxy)-1H-indazol-3-yl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.42762
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6698205
• LogD (pH = 7.4): 1.7121991
• Log P: 1.7166826
• Molar Refractivity: 101.5574 cm^3
• Polarizability: 34.447655 Å^3
• Polar Surface Area: 95.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.84
• LOG S: -3.22
• Polar Surface Area: 95.07 Å^2
• Rotatable Bonds: 4