4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine

C17H19N3O2S — CID 175944901

IUPAC4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine
SMILESCCOc1nc(-c2cccs2)cc2c1cnn2C1CCOCC1
InChIInChI=1S/C17H19N3O2S/c1-2-22-17-13-11-18-20(12-5-7-21-8-6-12)15(13)10-14(19-17)16-4-3-9-23-16/h3-4,9-12H,2,5-8H2,1H3
InChIKeyAJDFVBADUVNSJH-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.91
Rot. Bonds4

About 4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine

4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine (PubChem CID 175944901) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine
PubChem CID175944901
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine
SMILESCCOc1nc(-c2cccs2)cc2c1cnn2C1CCOCC1
InChIInChI=1S/C17H19N3O2S/c1-2-22-17-13-11-18-20(12-5-7-21-8-6-12)15(13)10-14(19-17)16-4-3-9-23-16/h3-4,9-12H,2,5-8H2,1H3
InChIKeyAJDFVBADUVNSJH-UHFFFAOYSA-N
XLogP3.91
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine?
The IUPAC name of 4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine (CID 175944901) is 4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine is CCOc1nc(-c2cccs2)cc2c1cnn2C1CCOCC1.
What is the InChIKey of 4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine?
The InChIKey is AJDFVBADUVNSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-2-22-17-13-11-18-20(12-5-7-21-8-6-12)15(13)10-14(19-17)16-4-3-9-23-16/h3-4,9-12H,2,5-8H2,1H3.
What are the key properties of 4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine?
4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine has a molecular weight of 329.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(oxan-4-yl)-6-thiophen-2-ylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 175944901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).