[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone

C18H15FIN3O2 — CID 59704655

IUPAC[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCCC1
InChIInChI=1S/C18H15FIN3O2/c19-13-9-11(20)3-4-14(13)22-16-12-10-21-6-5-15(12)25-17(16)18(24)23-7-1-2-8-23/h3-6,9-10,22H,1-2,7-8H2
InChIKeyOIGSTAZCCQTBGS-UHFFFAOYSA-N
MW451.24 g/mol
LogP4.55
Rot. Bonds3

About [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone

[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 59704655) has the molecular formula C18H15FIN3O2 and a molecular weight of 451.24 g/mol. Its IUPAC name is [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID59704655
Molecular FormulaC18H15FIN3O2
Molecular Weight451.24 g/mol
Exact Mass451.02
IUPAC Name[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCCC1
InChIInChI=1S/C18H15FIN3O2/c19-13-9-11(20)3-4-14(13)22-16-12-10-21-6-5-15(12)25-17(16)18(24)23-7-1-2-8-23/h3-6,9-10,22H,1-2,7-8H2
InChIKeyOIGSTAZCCQTBGS-UHFFFAOYSA-N
XLogP4.55
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.24
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 59704655) is [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCCC1.
What is the InChIKey of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OIGSTAZCCQTBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FIN3O2/c19-13-9-11(20)3-4-14(13)22-16-12-10-21-6-5-15(12)25-17(16)18(24)23-7-1-2-8-23/h3-6,9-10,22H,1-2,7-8H2.
What are the key properties of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 451.24 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 59704655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).