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

C21H16FIN4O2S — CID 25012013

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

[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 25012013) has the molecular formula C21H16FIN4O2S and a molecular weight of 534.35 g/mol. Its IUPAC name is [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 25012013
• Molecular Formula: C21H16FIN4O2S
• Molecular Weight: 534.35 g/mol
• Exact Mass: 534.00
• IUPAC Name: [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
• SMILES: O=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCCC1c1nccs1
• InChI: InChI=1S/C21H16FIN4O2S/c22-14-10-12(23)3-4-15(14)26-18-13-11-24-6-5-17(13)29-19(18)21(28)27-8-1-2-16(27)20-25-7-9-30-20/h3-7,9-11,16,26H,1-2,8H2
• InChIKey: BYWAVLRNTMTGAL-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.35
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 25012013) is [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1oc2ccncc2c1Nc1ccc(I)cc1F)N1CCCC1c1nccs1.

What is the InChIKey of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?

The InChIKey is BYWAVLRNTMTGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FIN4O2S/c22-14-10-12(23)3-4-15(14)26-18-13-11-24-6-5-17(13)29-19(18)21(28)27-8-1-2-16(27)20-25-7-9-30-20/h3-7,9-11,16,26H,1-2,8H2.

What are the key properties of [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?

[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 534.35 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 25012013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).