5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one

C23H14FN3O3S — CID 59577445

IUPAC5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one
SMILESO=C1Cc2cc(F)ccc2N1Cc1coc2cc(Oc3nc4ncccc4s3)ccc12
InChIInChI=1S/C23H14FN3O3S/c24-15-3-6-18-13(8-15)9-21(28)27(18)11-14-12-29-19-10-16(4-5-17(14)19)30-23-26-22-20(31-23)2-1-7-25-22/h1-8,10,12H,9,11H2
InChIKeyYGDXKDYAIIXCSX-UHFFFAOYSA-N
MW431.45 g/mol
LogP5.46
Rot. Bonds4

About 5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one

5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one (PubChem CID 59577445) has the molecular formula C23H14FN3O3S and a molecular weight of 431.45 g/mol. Its IUPAC name is 5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one
PubChem CID59577445
Molecular FormulaC23H14FN3O3S
Molecular Weight431.45 g/mol
Exact Mass431.07
IUPAC Name5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one
SMILESO=C1Cc2cc(F)ccc2N1Cc1coc2cc(Oc3nc4ncccc4s3)ccc12
InChIInChI=1S/C23H14FN3O3S/c24-15-3-6-18-13(8-15)9-21(28)27(18)11-14-12-29-19-10-16(4-5-17(14)19)30-23-26-22-20(31-23)2-1-7-25-22/h1-8,10,12H,9,11H2
InChIKeyYGDXKDYAIIXCSX-UHFFFAOYSA-N
XLogP5.46
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one?
The IUPAC name of 5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one (CID 59577445) is 5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one.
What is the SMILES notation for 5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one?
The canonical SMILES for 5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one is O=C1Cc2cc(F)ccc2N1Cc1coc2cc(Oc3nc4ncccc4s3)ccc12.
What is the InChIKey of 5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one?
The InChIKey is YGDXKDYAIIXCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3O3S/c24-15-3-6-18-13(8-15)9-21(28)27(18)11-14-12-29-19-10-16(4-5-17(14)19)30-23-26-22-20(31-23)2-1-7-25-22/h1-8,10,12H,9,11H2.
What are the key properties of 5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one?
5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one has a molecular weight of 431.45 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-3H-indol-2-one is sourced from PubChem (CID 59577445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).