1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide

C28H32FN3O4S — CID 175850429

About 1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide

1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 175850429) has the molecular formula C28H32FN3O4S and a molecular weight of 525.65 g/mol. Its IUPAC name is 1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 175850429
• Molecular Formula: C28H32FN3O4S
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.21
• IUPAC Name: 1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CCn1c(C(=O)NC)cc2c(-c3sc(CC(C)(C)O)cc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c21
• InChI: InChI=1S/C28H32FN3O4S/c1-8-32-21(26(33)30-6)12-19-20(14-31(7)27(34)23(19)32)25-22(11-18(37-25)13-28(4,5)35)36-24-15(2)9-17(29)10-16(24)3/h9-12,14,35H,8,13H2,1-7H3,(H,30,33)
• InChIKey: FLPPVKCJHNNLDP-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 85.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide (CID 175850429) is 1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide is CCn1c(C(=O)NC)cc2c(-c3sc(CC(C)(C)O)cc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c21.

What is the InChIKey of 1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is FLPPVKCJHNNLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O4S/c1-8-32-21(26(33)30-6)12-19-20(14-31(7)27(34)23(19)32)25-22(11-18(37-25)13-28(4,5)35)36-24-15(2)9-17(29)10-16(24)3/h9-12,14,35H,8,13H2,1-7H3,(H,30,33).

What are the key properties of 1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide?

1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 525.65 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-N,6-dimethyl-7-oxopyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 175850429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).