6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one

C18H21F2N3O3Si — CID 59812975

IUPAC6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one
SMILESC[Si](C)(C)CCOCn1ncc2[nH]c(=O)c(Oc3ccc(F)cc3F)cc21
InChIInChI=1S/C18H21F2N3O3Si/c1-27(2,3)7-6-25-11-23-15-9-17(18(24)22-14(15)10-21-23)26-16-5-4-12(19)8-13(16)20/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,24)
InChIKeyFUONRFVCXZZRHA-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.11
Rot. Bonds7

About 6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one

6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one (PubChem CID 59812975) has the molecular formula C18H21F2N3O3Si and a molecular weight of 393.47 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one
PubChem CID59812975
Molecular FormulaC18H21F2N3O3Si
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one
SMILESC[Si](C)(C)CCOCn1ncc2[nH]c(=O)c(Oc3ccc(F)cc3F)cc21
InChIInChI=1S/C18H21F2N3O3Si/c1-27(2,3)7-6-25-11-23-15-9-17(18(24)22-14(15)10-21-23)26-16-5-4-12(19)8-13(16)20/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,24)
InChIKeyFUONRFVCXZZRHA-UHFFFAOYSA-N
XLogP4.11
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one?
The IUPAC name of 6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one (CID 59812975) is 6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one is C[Si](C)(C)CCOCn1ncc2[nH]c(=O)c(Oc3ccc(F)cc3F)cc21.
What is the InChIKey of 6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one?
The InChIKey is FUONRFVCXZZRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3Si/c1-27(2,3)7-6-25-11-23-15-9-17(18(24)22-14(15)10-21-23)26-16-5-4-12(19)8-13(16)20/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,24).
What are the key properties of 6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one?
6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one has a molecular weight of 393.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 59812975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).