N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide

C24H22FN3O2 — CID 53164338

About N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide

N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (PubChem CID 53164338) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
• PubChem CID: 53164338
• Molecular Formula: C24H22FN3O2
• Molecular Weight: 403.46 g/mol
• Exact Mass: 403.17
• IUPAC Name: N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
• SMILES: Cc1cc(C)cc(NC(=O)Cn2ccc3ccn(Cc4cccc(F)c4)c3c2=O)c1
• InChI: InChI=1S/C24H22FN3O2/c1-16-10-17(2)12-21(11-16)26-22(29)15-28-9-7-19-6-8-27(23(19)24(28)30)14-18-4-3-5-20(25)13-18/h3-13H,14-15H2,1-2H3,(H,26,29)
• InChIKey: KHUDYJPELBTBFS-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 56.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.46
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?

The IUPAC name of N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide (CID 53164338) is N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide.

What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?

The canonical SMILES for N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2ccc3ccn(Cc4cccc(F)c4)c3c2=O)c1.

What is the InChIKey of N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?

The InChIKey is KHUDYJPELBTBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-16-10-17(2)12-21(11-16)26-22(29)15-28-9-7-19-6-8-27(23(19)24(28)30)14-18-4-3-5-20(25)13-18/h3-13H,14-15H2,1-2H3,(H,26,29).

What are the key properties of N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide?

N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide has a molecular weight of 403.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 53164338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).