N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide

C27H20FN3O3S — CID 20767889

About N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide (PubChem CID 20767889) has the molecular formula C27H20FN3O3S and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide
• PubChem CID: 20767889
• Molecular Formula: C27H20FN3O3S
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.12
• IUPAC Name: N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide
• SMILES: Cc1oc2cc(Oc3ccnc4ccsc34)ccc2c1C(=O)NCCc1c[nH]c2cc(F)ccc12
• InChI: InChI=1S/C27H20FN3O3S/c1-15-25(27(32)30-9-6-16-14-31-22-12-17(28)2-4-19(16)22)20-5-3-18(13-24(20)33-15)34-23-7-10-29-21-8-11-35-26(21)23/h2-5,7-8,10-14,31H,6,9H2,1H3,(H,30,32)
• InChIKey: HUWCCPSRSXXDPO-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 80.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide?

The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide (CID 20767889) is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide.

What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide?

The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide is Cc1oc2cc(Oc3ccnc4ccsc34)ccc2c1C(=O)NCCc1c[nH]c2cc(F)ccc12.

What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide?

The InChIKey is HUWCCPSRSXXDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O3S/c1-15-25(27(32)30-9-6-16-14-31-22-12-17(28)2-4-19(16)22)20-5-3-18(13-24(20)33-15)34-23-7-10-29-21-8-11-35-26(21)23/h2-5,7-8,10-14,31H,6,9H2,1H3,(H,30,32).

What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide?

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 6.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 20767889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).