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

C24H27FN4O4S — CID 162359212

IUPAC3-(5-cyclobutyloxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cc(OC3CCC3)ccc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C24H27FN4O4S/c1-14(2)29-20-9-15(23(30)27-24(3)12-34(31,32)13-24)11-26-22(20)21(28-29)18-10-17(7-8-19(18)25)33-16-5-4-6-16/h7-11,14,16H,4-6,12-13H2,1-3H3,(H,27,30)
InChIKeyOTLLEXNDYFRWBT-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.67
Rot. Bonds6

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

3-(5-cyclobutyloxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162359212) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is 3-(5-cyclobutyloxy-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-cyclobutyloxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID162359212
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name3-(5-cyclobutyloxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(C)n1nc(-c2cc(OC3CCC3)ccc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C24H27FN4O4S/c1-14(2)29-20-9-15(23(30)27-24(3)12-34(31,32)13-24)11-26-22(20)21(28-29)18-10-17(7-8-19(18)25)33-16-5-4-6-16/h7-11,14,16H,4-6,12-13H2,1-3H3,(H,27,30)
InChIKeyOTLLEXNDYFRWBT-UHFFFAOYSA-N
XLogP3.67
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyloxy-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-cyclobutyloxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162359212) is 3-(5-cyclobutyloxy-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-cyclobutyloxy-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-cyclobutyloxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)n1nc(-c2cc(OC3CCC3)ccc2F)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.
What is the InChIKey of 3-(5-cyclobutyloxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is OTLLEXNDYFRWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-14(2)29-20-9-15(23(30)27-24(3)12-34(31,32)13-24)11-26-22(20)21(28-29)18-10-17(7-8-19(18)25)33-16-5-4-6-16/h7-11,14,16H,4-6,12-13H2,1-3H3,(H,27,30).
What are the key properties of 3-(5-cyclobutyloxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?
3-(5-cyclobutyloxy-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 486.57 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyloxy-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 162359212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).