[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone

C18H15FIN3O2S — CID 69032181

IUPAC[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCSCC1
InChIInChI=1S/C18H15FIN3O2S/c19-13-9-11(20)1-2-14(13)22-16-12-10-21-4-3-15(12)25-17(16)18(24)23-5-7-26-8-6-23/h1-4,9-10,22H,5-8H2
InChIKeyHVGJGJYGJNVFOO-UHFFFAOYSA-N
MW483.31 g/mol
LogP4.50
Rot. Bonds3

About [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone

[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 69032181) has the molecular formula C18H15FIN3O2S and a molecular weight of 483.31 g/mol. Its IUPAC name is [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID69032181
Molecular FormulaC18H15FIN3O2S
Molecular Weight483.31 g/mol
Exact Mass482.99
IUPAC Name[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCSCC1
InChIInChI=1S/C18H15FIN3O2S/c19-13-9-11(20)1-2-14(13)22-16-12-10-21-4-3-15(12)25-17(16)18(24)23-5-7-26-8-6-23/h1-4,9-10,22H,5-8H2
InChIKeyHVGJGJYGJNVFOO-UHFFFAOYSA-N
XLogP4.50
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone (CID 69032181) is [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone is O=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCSCC1.
What is the InChIKey of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is HVGJGJYGJNVFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FIN3O2S/c19-13-9-11(20)1-2-14(13)22-16-12-10-21-4-3-15(12)25-17(16)18(24)23-5-7-26-8-6-23/h1-4,9-10,22H,5-8H2.
What are the key properties of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone?
[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 483.31 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 69032181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).