N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C26H28FN3O4S — CID 163408906

About N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 163408906) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 163408906
• Molecular Formula: C26H28FN3O4S
• Molecular Weight: 497.59 g/mol
• Exact Mass: 497.18
• IUPAC Name: N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CCNC(=O)c1cc2c(-c3sc(C(C)(C)O)cc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1
• InChI: InChI=1S/C26H28FN3O4S/c1-7-28-24(31)18-10-16-17(12-30(6)25(32)21(16)29-18)23-19(11-20(35-23)26(4,5)33)34-22-13(2)8-15(27)9-14(22)3/h8-12,29,33H,7H2,1-6H3,(H,28,31)
• InChIKey: HYBLMPANOUSNGK-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 96.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.59
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 163408906) is N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3sc(C(C)(C)O)cc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1.

What is the InChIKey of N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is HYBLMPANOUSNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4S/c1-7-28-24(31)18-10-16-17(12-30(6)25(32)21(16)29-18)23-19(11-20(35-23)26(4,5)33)34-22-13(2)8-15(27)9-14(22)3/h8-12,29,33H,7H2,1-6H3,(H,28,31).

What are the key properties of N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 497.59 g/mol, XLogP of 5.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 163408906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).