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

C22H19F3N4O — CID 166586073

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

N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 166586073) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
• PubChem CID: 166586073
• Molecular Formula: C22H19F3N4O
• Molecular Weight: 412.42 g/mol
• Exact Mass: 412.15
• IUPAC Name: N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
• SMILES: Cc1cnn(CC(=O)NCCc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)c1
• InChI: InChI=1S/C22H19F3N4O/c1-13-10-27-29(11-13)12-20(30)26-7-6-17-18-8-16(24)9-19(25)22(18)28-21(17)14-2-4-15(23)5-3-14/h2-5,8-11,28H,6-7,12H2,1H3,(H,26,30)
• InChIKey: TZEQPINJCRTTHR-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 62.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.42
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 166586073) is N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide.

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

The canonical SMILES for N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)NCCc2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)c1.

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

The InChIKey is TZEQPINJCRTTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c1-13-10-27-29(11-13)12-20(30)26-7-6-17-18-8-16(24)9-19(25)22(18)28-21(17)14-2-4-15(23)5-3-14/h2-5,8-11,28H,6-7,12H2,1H3,(H,26,30).

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

N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 412.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 166586073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).