2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide

C31H27F2N3O — CID 90162410

About 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide

2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide (PubChem CID 90162410) has the molecular formula C31H27F2N3O and a molecular weight of 495.57 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide
• PubChem CID: 90162410
• Molecular Formula: C31H27F2N3O
• Molecular Weight: 495.57 g/mol
• Exact Mass: 495.21
• IUPAC Name: 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide
• SMILES: Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccccc2C)c1
• InChI: InChI=1S/C31H27F2N3O/c1-19-12-21(14-24(33)13-19)15-29(31-26(8-5-11-34-31)25-7-4-3-6-20(25)2)36-30(37)16-22-18-35-28-10-9-23(32)17-27(22)28/h3-14,17-18,29,35H,15-16H2,1-2H3,(H,36,37)/t29-/m0/s1
• InChIKey: LGHSKRJVKZZDJD-LJAQVGFWSA-N
• XLogP: 6.77
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.57
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide?

The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide (CID 90162410) is 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide.

What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide?

The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide is Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccccc2C)c1.

What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide?

The InChIKey is LGHSKRJVKZZDJD-LJAQVGFWSA-N. The full InChI is InChI=1S/C31H27F2N3O/c1-19-12-21(14-24(33)13-19)15-29(31-26(8-5-11-34-31)25-7-4-3-6-20(25)2)36-30(37)16-22-18-35-28-10-9-23(32)17-27(22)28/h3-14,17-18,29,35H,15-16H2,1-2H3,(H,36,37)/t29-/m0/s1.

What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide?

2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 495.57 g/mol, XLogP of 6.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 90162410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).