1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea

C24H17FN4O2S — CID 18451197

About 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea

1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea (PubChem CID 18451197) has the molecular formula C24H17FN4O2S and a molecular weight of 444.49 g/mol. Its IUPAC name is 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea.

Molecular Properties

• Compound Name: 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea
• PubChem CID: 18451197
• Molecular Formula: C24H17FN4O2S
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.11
• IUPAC Name: 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea
• SMILES: Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12
• InChI: InChI=1S/C24H17FN4O2S/c25-19-3-1-2-4-20(19)29-24(30)28-16-7-5-14(6-8-16)18-13-32-22-17(15-9-10-31-12-15)11-27-23(26)21(18)22/h1-13H,(H2,26,27)(H2,28,29,30)
• InChIKey: CNTCGRJDUJEUDG-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 93.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea?

The IUPAC name of 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea (CID 18451197) is 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea.

What is the SMILES notation for 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea?

The canonical SMILES for 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea is Nc1ncc(-c2ccoc2)c2scc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12.

What is the InChIKey of 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea?

The InChIKey is CNTCGRJDUJEUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2S/c25-19-3-1-2-4-20(19)29-24(30)28-16-7-5-14(6-8-16)18-13-32-22-17(15-9-10-31-12-15)11-27-23(26)21(18)22/h1-13H,(H2,26,27)(H2,28,29,30).

What are the key properties of 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea?

1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea has a molecular weight of 444.49 g/mol, XLogP of 6.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-amino-7-(furan-3-yl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 18451197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).