6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

C23H21N3O4S — CID 86704894

IUPAC6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCS(=O)(=O)CCc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1
InChIInChI=1S/C23H21N3O4S/c1-31(29,30)13-12-16-10-11-21-19(14-18-8-5-9-20(24-18)23(27)28)22(25-26(21)15-16)17-6-3-2-4-7-17/h2-11,15H,12-14H2,1H3,(H,27,28)
InChIKeyDRJADJDIOCCODT-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.27
Rot. Bonds7

About 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 86704894) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID86704894
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCS(=O)(=O)CCc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1
InChIInChI=1S/C23H21N3O4S/c1-31(29,30)13-12-16-10-11-21-19(14-18-8-5-9-20(24-18)23(27)28)22(25-26(21)15-16)17-6-3-2-4-7-17/h2-11,15H,12-14H2,1H3,(H,27,28)
InChIKeyDRJADJDIOCCODT-UHFFFAOYSA-N
XLogP3.27
TPSA101.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (CID 86704894) is 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is CS(=O)(=O)CCc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1.
What is the InChIKey of 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is DRJADJDIOCCODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-31(29,30)13-12-16-10-11-21-19(14-18-8-5-9-20(24-18)23(27)28)22(25-26(21)15-16)17-6-3-2-4-7-17/h2-11,15H,12-14H2,1H3,(H,27,28).
What are the key properties of 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 435.51 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 86704894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).