5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one

C15H12FN5O3S — CID 168900881

IUPAC5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
SMILESCn1ncc2cc(-c3ccc(O)c(N4CC(=O)NS4=O)c3F)cnc21
InChIInChI=1S/C15H12FN5O3S/c1-20-15-9(6-18-20)4-8(5-17-15)10-2-3-11(22)14(13(10)16)21-7-12(23)19-25(21)24/h2-6,22H,7H2,1H3,(H,19,23)
InChIKeyHVRIAZJPZGWOAB-UHFFFAOYSA-N
MW361.36 g/mol
LogP0.99
Rot. Bonds2

About 5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one

5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one (PubChem CID 168900881) has the molecular formula C15H12FN5O3S and a molecular weight of 361.36 g/mol. Its IUPAC name is 5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
PubChem CID168900881
Molecular FormulaC15H12FN5O3S
Molecular Weight361.36 g/mol
Exact Mass361.06
IUPAC Name5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
SMILESCn1ncc2cc(-c3ccc(O)c(N4CC(=O)NS4=O)c3F)cnc21
InChIInChI=1S/C15H12FN5O3S/c1-20-15-9(6-18-20)4-8(5-17-15)10-2-3-11(22)14(13(10)16)21-7-12(23)19-25(21)24/h2-6,22H,7H2,1H3,(H,19,23)
InChIKeyHVRIAZJPZGWOAB-UHFFFAOYSA-N
XLogP0.99
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one (CID 168900881) is 5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one is Cn1ncc2cc(-c3ccc(O)c(N4CC(=O)NS4=O)c3F)cnc21.
What is the InChIKey of 5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is HVRIAZJPZGWOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O3S/c1-20-15-9(6-18-20)4-8(5-17-15)10-2-3-11(22)14(13(10)16)21-7-12(23)19-25(21)24/h2-6,22H,7H2,1H3,(H,19,23).
What are the key properties of 5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one?
5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 361.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 168900881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).