1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone

C23H26FN3O4S — CID 163439631

IUPAC1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
SMILESCCOc1ccc(F)c(-c2nn(C(C)C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)c1
InChIInChI=1S/C23H26FN3O4S/c1-5-31-16-6-7-18(24)17(9-16)21-22-19(27(26-21)14(2)3)8-15(11-25-22)20(28)10-23(4)12-32(29,30)13-23/h6-9,11,14H,5,10,12-13H2,1-4H3
InChIKeyAXKJJOOZFSVYJG-UHFFFAOYSA-N
MW459.54 g/mol
LogP4.22
Rot. Bonds7

About 1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone

1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone (PubChem CID 163439631) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is 1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
PubChem CID163439631
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
SMILESCCOc1ccc(F)c(-c2nn(C(C)C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)c1
InChIInChI=1S/C23H26FN3O4S/c1-5-31-16-6-7-18(24)17(9-16)21-22-19(27(26-21)14(2)3)8-15(11-25-22)20(28)10-23(4)12-32(29,30)13-23/h6-9,11,14H,5,10,12-13H2,1-4H3
InChIKeyAXKJJOOZFSVYJG-UHFFFAOYSA-N
XLogP4.22
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11787810, Example 113
CID 162358878
US11787810, Example 31
CID 162358855
US11787810, Example 26
CID 162358896
US11787810, Example 88
CID 162358905
US11787810, Example 116
CID 162358916
US11787810, Example 60a
CID 162358921
US11787810, Example 67a
CID 162358922
US11787810, Example 28
CID 162358924
US11787810, Example 69
CID 162358931
US11787810, Example 121
CID 162358941
US11787810, Example 71
CID 162358959
US11787810, Example 76b
CID 162358984

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?
The IUPAC name of 1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone (CID 163439631) is 1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone.
What is the SMILES notation for 1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?
The canonical SMILES for 1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone is CCOc1ccc(F)c(-c2nn(C(C)C)c3cc(C(=O)CC4(C)CS(=O)(=O)C4)cnc23)c1.
What is the InChIKey of 1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?
The InChIKey is AXKJJOOZFSVYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-5-31-16-6-7-18(24)17(9-16)21-22-19(27(26-21)14(2)3)8-15(11-25-22)20(28)10-23(4)12-32(29,30)13-23/h6-9,11,14H,5,10,12-13H2,1-4H3.
What are the key properties of 1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone?
1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone has a molecular weight of 459.54 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-ethoxy-2-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone is sourced from PubChem (CID 163439631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).