1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one

C13H11N3OS — CID 134578284

IUPAC1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
SMILESCCC(=O)c1cnn2cc(-c3nccs3)ccc12
InChIInChI=1S/C13H11N3OS/c1-2-12(17)10-7-15-16-8-9(3-4-11(10)16)13-14-5-6-18-13/h3-8H,2H2,1H3
InChIKeyOSUKDOHUQKDHRW-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.05
Rot. Bonds3

About 1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one

1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one (PubChem CID 134578284) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
PubChem CID134578284
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
SMILESCCC(=O)c1cnn2cc(-c3nccs3)ccc12
InChIInChI=1S/C13H11N3OS/c1-2-12(17)10-7-15-16-8-9(3-4-11(10)16)13-14-5-6-18-13/h3-8H,2H2,1H3
InChIKeyOSUKDOHUQKDHRW-UHFFFAOYSA-N
XLogP3.05
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The IUPAC name of 1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one (CID 134578284) is 1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one.
What is the SMILES notation for 1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The canonical SMILES for 1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one is CCC(=O)c1cnn2cc(-c3nccs3)ccc12.
What is the InChIKey of 1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
The InChIKey is OSUKDOHUQKDHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-12(17)10-7-15-16-8-9(3-4-11(10)16)13-14-5-6-18-13/h3-8H,2H2,1H3.
What are the key properties of 1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one?
1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one has a molecular weight of 257.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one is sourced from PubChem (CID 134578284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).