6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

C17H15F4N3O4 — CID 137303536

IUPAC6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCOCCOc1ccc(-c2[nH]c3c(c(C(F)(F)F)nn3C)c(=O)c2O)c(F)c1
InChIInChI=1S/C17H15F4N3O4/c1-24-16-11(15(23-24)17(19,20)21)13(25)14(26)12(22-16)9-4-3-8(7-10(9)18)28-6-5-27-2/h3-4,7,26H,5-6H2,1-2H3,(H,22,25)
InChIKeyDJIZCNICQKTONK-UHFFFAOYSA-N
MW401.32 g/mol
LogP2.82
Rot. Bonds5

About 6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 137303536) has the molecular formula C17H15F4N3O4 and a molecular weight of 401.32 g/mol. Its IUPAC name is 6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID137303536
Molecular FormulaC17H15F4N3O4
Molecular Weight401.32 g/mol
Exact Mass401.10
IUPAC Name6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCOCCOc1ccc(-c2[nH]c3c(c(C(F)(F)F)nn3C)c(=O)c2O)c(F)c1
InChIInChI=1S/C17H15F4N3O4/c1-24-16-11(15(23-24)17(19,20)21)13(25)14(26)12(22-16)9-4-3-8(7-10(9)18)28-6-5-27-2/h3-4,7,26H,5-6H2,1-2H3,(H,22,25)
InChIKeyDJIZCNICQKTONK-UHFFFAOYSA-N
XLogP2.82
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303571
2-fluoro-5-(2-methoxyethoxy)phenol
CID 125116238
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 42878869
3-(2-fluoro-4-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyridazin-4-one
CID 145267088
4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
CID 20785482
2-bromo-5-cyclopropyl-4-[2-fluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole
CID 167489398
6-[2-fluoro-4-(6,6,6-trifluorohexoxy)phenyl]-4-(4-methylphenyl)-3-(5-oxo-1H-tetrazol-4-yl)-1H-pyridin-2-one
CID 137179208
5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486899
4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole
CID 146433212
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 137303536) is 6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is COCCOc1ccc(-c2[nH]c3c(c(C(F)(F)F)nn3C)c(=O)c2O)c(F)c1.
What is the InChIKey of 6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is DJIZCNICQKTONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O4/c1-24-16-11(15(23-24)17(19,20)21)13(25)14(26)12(22-16)9-4-3-8(7-10(9)18)28-6-5-27-2/h3-4,7,26H,5-6H2,1-2H3,(H,22,25).
What are the key properties of 6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 401.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-5-hydroxy-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 137303536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).