2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide

C12H17N3O4S — CID 126823944

IUPAC2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1cnn2ccccc12
InChIInChI=1S/C12H17N3O4S/c1-18-6-7-19-8-9-20(16,17)14-11-10-13-15-5-3-2-4-12(11)15/h2-5,10,14H,6-9H2,1H3
InChIKeyBMLGZQZKZLUDNP-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.74
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide

2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide (PubChem CID 126823944) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide
PubChem CID126823944
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1cnn2ccccc12
InChIInChI=1S/C12H17N3O4S/c1-18-6-7-19-8-9-20(16,17)14-11-10-13-15-5-3-2-4-12(11)15/h2-5,10,14H,6-9H2,1H3
InChIKeyBMLGZQZKZLUDNP-UHFFFAOYSA-N
XLogP0.74
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide (CID 126823944) is 2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide is COCCOCCS(=O)(=O)Nc1cnn2ccccc12.
What is the InChIKey of 2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide?
The InChIKey is BMLGZQZKZLUDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-18-6-7-19-8-9-20(16,17)14-11-10-13-15-5-3-2-4-12(11)15/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide?
2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide has a molecular weight of 299.35 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-pyrazolo[1,5-a]pyridin-3-ylethanesulfonamide is sourced from PubChem (CID 126823944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).