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

C22H25FN4O4S — CID 162359145

IUPAC3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCCOc1ccc(F)c(-c2nn(C(C)C)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1
InChIInChI=1S/C22H25FN4O4S/c1-5-31-15-6-7-17(23)16(9-15)19-20-18(27(26-19)13(2)3)8-14(10-24-20)21(28)25-22(4)11-32(29,30)12-22/h6-10,13H,5,11-12H2,1-4H3,(H,25,28)
InChIKeyZIYIPKDPEAIZBE-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.13
Rot. Bonds6

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

3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162359145) has the molecular formula C22H25FN4O4S and a molecular weight of 460.53 g/mol. Its IUPAC name is 3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162359145
Molecular FormulaC22H25FN4O4S
Molecular Weight460.53 g/mol
Exact Mass460.16
IUPAC Name3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCCOc1ccc(F)c(-c2nn(C(C)C)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1
InChIInChI=1S/C22H25FN4O4S/c1-5-31-15-6-7-17(23)16(9-15)19-20-18(27(26-19)13(2)3)8-14(10-24-20)21(28)25-22(4)11-32(29,30)12-22/h6-10,13H,5,11-12H2,1-4H3,(H,25,28)
InChIKeyZIYIPKDPEAIZBE-UHFFFAOYSA-N
XLogP3.13
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162359145) is 3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CCOc1ccc(F)c(-c2nn(C(C)C)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.
What is the InChIKey of 3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is ZIYIPKDPEAIZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4S/c1-5-31-15-6-7-17(23)16(9-15)19-20-18(27(26-19)13(2)3)8-14(10-24-20)21(28)25-22(4)11-32(29,30)12-22/h6-10,13H,5,11-12H2,1-4H3,(H,25,28).
What are the key properties of 3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162359145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).