6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C17H20N6O4S — CID 168797626

IUPAC6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCc1c(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C(=O)O)CC2)cnn1C
InChIInChI=1S/C17H20N6O4S/c1-11-15(8-19-21(11)2)28(26,27)22-5-3-12(4-6-22)14-9-23-16(18-10-20-23)7-13(14)17(24)25/h7-10,12H,3-6H2,1-2H3,(H,24,25)
InChIKeyGQBRVXSONJLWMO-UHFFFAOYSA-N
MW404.45 g/mol
LogP1.04
Rot. Bonds4

About 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 168797626) has the molecular formula C17H20N6O4S and a molecular weight of 404.45 g/mol. Its IUPAC name is 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID168797626
Molecular FormulaC17H20N6O4S
Molecular Weight404.45 g/mol
Exact Mass404.13
IUPAC Name6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCc1c(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C(=O)O)CC2)cnn1C
InChIInChI=1S/C17H20N6O4S/c1-11-15(8-19-21(11)2)28(26,27)22-5-3-12(4-6-22)14-9-23-16(18-10-20-23)7-13(14)17(24)25/h7-10,12H,3-6H2,1-2H3,(H,24,25)
InChIKeyGQBRVXSONJLWMO-UHFFFAOYSA-N
XLogP1.04
TPSA122.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 168797626) is 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is Cc1c(S(=O)(=O)N2CCC(c3cn4ncnc4cc3C(=O)O)CC2)cnn1C.
What is the InChIKey of 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is GQBRVXSONJLWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O4S/c1-11-15(8-19-21(11)2)28(26,27)22-5-3-12(4-6-22)14-9-23-16(18-10-20-23)7-13(14)17(24)25/h7-10,12H,3-6H2,1-2H3,(H,24,25).
What are the key properties of 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 404.45 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 168797626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).