N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide

C24H17FN4O2S — CID 25054856

About N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide

N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide (PubChem CID 25054856) has the molecular formula C24H17FN4O2S and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide
• PubChem CID: 25054856
• Molecular Formula: C24H17FN4O2S
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.11
• IUPAC Name: N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide
• SMILES: Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)c4ccccc4)cc3F)c2s1
• InChI: InChI=1S/C24H17FN4O2S/c1-29-12-11-27-23(29)21-14-18-22(32-21)20(9-10-26-18)31-19-8-7-16(13-17(19)25)28-24(30)15-5-3-2-4-6-15/h2-14H,1H3,(H,28,30)
• InChIKey: BMZQBPBLUPWRAI-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide?

The IUPAC name of N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide (CID 25054856) is N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide.

What is the SMILES notation for N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide?

The canonical SMILES for N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide is Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)c4ccccc4)cc3F)c2s1.

What is the InChIKey of N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide?

The InChIKey is BMZQBPBLUPWRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2S/c1-29-12-11-27-23(29)21-14-18-22(32-21)20(9-10-26-18)31-19-8-7-16(13-17(19)25)28-24(30)15-5-3-2-4-6-15/h2-14H,1H3,(H,28,30).

What are the key properties of N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide?

N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide has a molecular weight of 444.49 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]benzamide is sourced from PubChem (CID 25054856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).