N-[(1S)-2-(3-fluorocyclopenta-1,3-dien-1-yl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

C29H26FN3O2 — CID 129129766

About N-[(1S)-2-(3-fluorocyclopenta-1,3-dien-1-yl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

N-[(1S)-2-(3-fluorocyclopenta-1,3-dien-1-yl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 129129766) has the molecular formula C29H26FN3O2 and a molecular weight of 467.54 g/mol. Its IUPAC name is N-[(1S)-2-(3-fluorocyclopenta-1,3-dien-1-yl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(3-fluorocyclopenta-1,3-dien-1-yl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
• PubChem CID: 129129766
• Molecular Formula: C29H26FN3O2
• Molecular Weight: 467.54 g/mol
• Exact Mass: 467.20
• IUPAC Name: N-[(1S)-2-(3-fluorocyclopenta-1,3-dien-1-yl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
• SMILES: Cc1ccccc1-c1cccnc1[C@H](CC1=CC(F)=CC1)NC(=O)Cc1c[nH]c2ccc(O)cc12
• InChI: InChI=1S/C29H26FN3O2/c1-18-5-2-3-6-23(18)24-7-4-12-31-29(24)27(14-19-8-9-21(30)13-19)33-28(35)15-20-17-32-26-11-10-22(34)16-25(20)26/h2-7,9-13,16-17,27,32,34H,8,14-15H2,1H3,(H,33,35)/t27-/m0/s1
• InChIKey: ZGXQXNNKJGMUHK-MHZLTWQESA-N
• XLogP: 6.22
• TPSA: 78.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.54
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-2-(3-fluorocyclopenta-1,3-dien-1-yl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (CID 129129766) is N-[(1S)-2-(3-fluorocyclopenta-1,3-dien-1-yl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

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

The canonical SMILES for N-[(1S)-2-(3-fluorocyclopenta-1,3-dien-1-yl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is Cc1ccccc1-c1cccnc1[C@H](CC1=CC(F)=CC1)NC(=O)Cc1c[nH]c2ccc(O)cc12.

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

The InChIKey is ZGXQXNNKJGMUHK-MHZLTWQESA-N. The full InChI is InChI=1S/C29H26FN3O2/c1-18-5-2-3-6-23(18)24-7-4-12-31-29(24)27(14-19-8-9-21(30)13-19)33-28(35)15-20-17-32-26-11-10-22(34)16-25(20)26/h2-7,9-13,16-17,27,32,34H,8,14-15H2,1H3,(H,33,35)/t27-/m0/s1.

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

N-[(1S)-2-(3-fluorocyclopenta-1,3-dien-1-yl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 467.54 g/mol, XLogP of 6.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(3-fluorocyclopenta-1,3-dien-1-yl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 129129766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).