2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide

C23H22F2N4O — CID 45185399

About 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide

2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide (PubChem CID 45185399) has the molecular formula C23H22F2N4O and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
• PubChem CID: 45185399
• Molecular Formula: C23H22F2N4O
• Molecular Weight: 408.45 g/mol
• Exact Mass: 408.18
• IUPAC Name: 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
• SMILES: Cc1[nH]c2c(F)cccc2c1CC(=O)NC(C)c1cnn(-c2cccc(F)c2)c1C
• InChI: InChI=1S/C23H22F2N4O/c1-13-19(18-8-5-9-21(25)23(18)28-13)11-22(30)27-14(2)20-12-26-29(15(20)3)17-7-4-6-16(24)10-17/h4-10,12,14,28H,11H2,1-3H3,(H,27,30)
• InChIKey: OGFHPIKKZYELFC-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 62.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide?

The IUPAC name of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide (CID 45185399) is 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide.

What is the SMILES notation for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide?

The canonical SMILES for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide is Cc1[nH]c2c(F)cccc2c1CC(=O)NC(C)c1cnn(-c2cccc(F)c2)c1C.

What is the InChIKey of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide?

The InChIKey is OGFHPIKKZYELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O/c1-13-19(18-8-5-9-21(25)23(18)28-13)11-22(30)27-14(2)20-12-26-29(15(20)3)17-7-4-6-16(24)10-17/h4-10,12,14,28H,11H2,1-3H3,(H,27,30).

What are the key properties of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide?

2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide has a molecular weight of 408.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 45185399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).