4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C33H33FN4O5S — CID 168980281

About 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 168980281) has the molecular formula C33H33FN4O5S and a molecular weight of 616.72 g/mol. Its IUPAC name is 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 168980281
• Molecular Formula: C33H33FN4O5S
• Molecular Weight: 616.72 g/mol
• Exact Mass: 616.22
• IUPAC Name: 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: Cc1cc(F)cc(C)c1Oc1ccc(NS(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)Nc3ccc(C(C)C)cc3)cc12
• InChI: InChI=1S/C33H33FN4O5S/c1-18(2)21-7-9-23(10-8-21)35-32(39)28-16-26-27(17-38(5)33(40)30(26)36-28)25-15-24(37-44(6,41)42)11-12-29(25)43-31-19(3)13-22(34)14-20(31)4/h7-18,36-37H,1-6H3,(H,35,39)
• InChIKey: XPCLJBYDSVKGHY-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 122.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.72
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 168980281) is 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1cc(F)cc(C)c1Oc1ccc(NS(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)Nc3ccc(C(C)C)cc3)cc12.

What is the InChIKey of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is XPCLJBYDSVKGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN4O5S/c1-18(2)21-7-9-23(10-8-21)35-32(39)28-16-26-27(17-38(5)33(40)30(26)36-28)25-15-24(37-44(6,41)42)11-12-29(25)43-31-19(3)13-22(34)14-20(31)4/h7-18,36-37H,1-6H3,(H,35,39).

What are the key properties of 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 616.72 g/mol, XLogP of 6.83, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(methanesulfonamido)phenyl]-6-methyl-7-oxo-N-(4-propan-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 168980281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).