3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide

C29H27FN4O2 — CID 16613871

About 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide

3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide (PubChem CID 16613871) has the molecular formula C29H27FN4O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
• PubChem CID: 16613871
• Molecular Formula: C29H27FN4O2
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.21
• IUPAC Name: 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide
• SMILES: COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NCCc2cnn(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C29H27FN4O2/c1-36-24-10-7-21(8-11-24)29-25(26-17-22(30)9-13-27(26)33-29)12-14-28(35)31-16-15-20-18-32-34(19-20)23-5-3-2-4-6-23/h2-11,13,17-19,33H,12,14-16H2,1H3,(H,31,35)
• InChIKey: RJFWOKQFZAWERW-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 71.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide?

The IUPAC name of 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide (CID 16613871) is 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide.

What is the SMILES notation for 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide?

The canonical SMILES for 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide is COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NCCc2cnn(-c3ccccc3)c2)cc1.

What is the InChIKey of 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide?

The InChIKey is RJFWOKQFZAWERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O2/c1-36-24-10-7-21(8-11-24)29-25(26-17-22(30)9-13-27(26)33-29)12-14-28(35)31-16-15-20-18-32-34(19-20)23-5-3-2-4-6-23/h2-11,13,17-19,33H,12,14-16H2,1H3,(H,31,35).

What are the key properties of 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide?

3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 482.56 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 16613871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).