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

C16H16FN3O3 — CID 152665413

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1nc(C)c2c(=O)c(O)c(-c3ccc(OC)cc3F)[nH]c21
InChIInChI=1S/C16H16FN3O3/c1-4-20-16-12(8(2)19-20)14(21)15(22)13(18-16)10-6-5-9(23-3)7-11(10)17/h5-7,22H,4H2,1-3H3,(H,18,21)
InChIKeyZKKDKRWJEYZUKQ-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.57
Rot. Bonds3

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

1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 152665413) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID152665413
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1nc(C)c2c(=O)c(O)c(-c3ccc(OC)cc3F)[nH]c21
InChIInChI=1S/C16H16FN3O3/c1-4-20-16-12(8(2)19-20)14(21)15(22)13(18-16)10-6-5-9(23-3)7-11(10)17/h5-7,22H,4H2,1-3H3,(H,18,21)
InChIKeyZKKDKRWJEYZUKQ-UHFFFAOYSA-N
XLogP2.57
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 152665413) is 1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is CCn1nc(C)c2c(=O)c(O)c(-c3ccc(OC)cc3F)[nH]c21.
What is the InChIKey of 1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is ZKKDKRWJEYZUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-4-20-16-12(8(2)19-20)14(21)15(22)13(18-16)10-6-5-9(23-3)7-11(10)17/h5-7,22H,4H2,1-3H3,(H,18,21).
What are the key properties of 1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one?
1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 317.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(2-fluoro-4-methoxyphenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 152665413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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