ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate

C17H17N3O4S — CID 69365809

IUPACethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(C)n2)nn2cccc(S(C)(=O)=O)c12
InChIInChI=1S/C17H17N3O4S/c1-4-24-17(21)14-15(12-8-5-7-11(2)18-12)19-20-10-6-9-13(16(14)20)25(3,22)23/h5-10H,4H2,1-3H3
InChIKeyXCODFQGNPQBTLS-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.28
Rot. Bonds4

About ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 69365809) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID69365809
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Nameethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(C)n2)nn2cccc(S(C)(=O)=O)c12
InChIInChI=1S/C17H17N3O4S/c1-4-24-17(21)14-15(12-8-5-7-11(2)18-12)19-20-10-6-9-13(16(14)20)25(3,22)23/h5-10H,4H2,1-3H3
InChIKeyXCODFQGNPQBTLS-UHFFFAOYSA-N
XLogP2.28
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 58014043
ethyl 1-methyl-5-(6-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxylate
CID 63381925
ethyl 5-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 23055465
3-(dimethylamino)-1-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
CID 68578733
ethyl 1-fluorosulfanyl-3-(6-methyl-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-5-carboxylate
CID 145448726
ethyl 2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 144559581
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
3-bromo-2-(6-methyl-2-pyridinyl)-4-phenylpyrazolo[1,5-a]pyridine
CID 69365246
3-(6-methyl-2-pyridinyl)triazolo[1,5-a]pyridine
CID 11557542
ethyl 4-methyl-2-(6-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 102972377
ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 101384710
ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 150498169

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 69365809) is ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(-c2cccc(C)n2)nn2cccc(S(C)(=O)=O)c12.
What is the InChIKey of ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is XCODFQGNPQBTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-4-24-17(21)14-15(12-8-5-7-11(2)18-12)19-20-10-6-9-13(16(14)20)25(3,22)23/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 359.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 69365809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).