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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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).