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

C22H19FN4O2S — CID 143636051

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

[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 143636051) has the molecular formula C22H19FN4O2S and a molecular weight of 422.49 g/mol. Its IUPAC name is [3-(2-fluoro-4-methylanilino)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-methylanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 143636051
• Molecular Formula: C22H19FN4O2S
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.12
• IUPAC Name: [3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
• SMILES: Cc1ccc(Nc2c(C(=O)N3CCCC3c3nccs3)oc3ccncc23)c(F)c1
• InChI: InChI=1S/C22H19FN4O2S/c1-13-4-5-16(15(23)11-13)26-19-14-12-24-7-6-18(14)29-20(19)22(28)27-9-2-3-17(27)21-25-8-10-30-21/h4-8,10-12,17,26H,2-3,9H2,1H3
• InChIKey: NDROITWBOOJSOC-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-4-methylanilino)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-methylanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 143636051) is [3-(2-fluoro-4-methylanilino)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-methylanilino)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-methylanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is Cc1ccc(Nc2c(C(=O)N3CCCC3c3nccs3)oc3ccncc23)c(F)c1.

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

The InChIKey is NDROITWBOOJSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S/c1-13-4-5-16(15(23)11-13)26-19-14-12-24-7-6-18(14)29-20(19)22(28)27-9-2-3-17(27)21-25-8-10-30-21/h4-8,10-12,17,26H,2-3,9H2,1H3.

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

[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 422.49 g/mol, XLogP of 5.45, 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-methylanilino)furo[3,2-c]pyridin-2-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 143636051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).