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

C24H23N3O4S — CID 86704895

IUPACmethyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3ccccc3)nn3cc(CCS(C)(=O)=O)ccc23)n1
InChIInChI=1S/C24H23N3O4S/c1-31-24(28)21-10-6-9-19(25-21)15-20-22-12-11-17(13-14-32(2,29)30)16-27(22)26-23(20)18-7-4-3-5-8-18/h3-12,16H,13-15H2,1-2H3
InChIKeyCODCRDJRUVJDEC-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.36
Rot. Bonds7

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

methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate (PubChem CID 86704895) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
PubChem CID86704895
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Namemethyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3ccccc3)nn3cc(CCS(C)(=O)=O)ccc23)n1
InChIInChI=1S/C24H23N3O4S/c1-31-24(28)21-10-6-9-19(25-21)15-20-22-12-11-17(13-14-32(2,29)30)16-27(22)26-23(20)18-7-4-3-5-8-18/h3-12,16H,13-15H2,1-2H3
InChIKeyCODCRDJRUVJDEC-UHFFFAOYSA-N
XLogP3.36
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704894
methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 86704899
methyl 6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 123259065
methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 147046443
methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 159676255
methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate
CID 158770822
6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 158313941
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
methyl 6-(6-cyclopropyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonyl)pyridine-2-carboxylate
CID 86704746
methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate
CID 86704739
benzyl 6-[[1-(benzenesulfonyl)-6-methoxy-2-phenylindol-3-yl]methyl]pyridine-2-carboxylate
CID 86703272

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate (CID 86704895) is methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cc2c(-c3ccccc3)nn3cc(CCS(C)(=O)=O)ccc23)n1.
What is the InChIKey of methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate?
The InChIKey is CODCRDJRUVJDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-31-24(28)21-10-6-9-19(25-21)15-20-22-12-11-17(13-14-32(2,29)30)16-27(22)26-23(20)18-7-4-3-5-8-18/h3-12,16H,13-15H2,1-2H3.
What are the key properties of methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate has a molecular weight of 449.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 86704895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).