N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

C24H20BrF2N3O2 — CID 71185228

About N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 71185228) has the molecular formula C24H20BrF2N3O2 and a molecular weight of 500.34 g/mol. Its IUPAC name is N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
• PubChem CID: 71185228
• Molecular Formula: C24H20BrF2N3O2
• Molecular Weight: 500.34 g/mol
• Exact Mass: 499.07
• IUPAC Name: N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
• SMILES: Cc1cnc(C(CNC(=O)Cc2c[nH]c3ccc(O)cc23)c2cc(F)cc(F)c2)c(Br)c1
• InChI: InChI=1S/C24H20BrF2N3O2/c1-13-4-21(25)24(30-10-13)20(14-5-16(26)8-17(27)6-14)12-29-23(32)7-15-11-28-22-3-2-18(31)9-19(15)22/h2-6,8-11,20,28,31H,7,12H2,1H3,(H,29,32)
• InChIKey: LPLIETRCUSUOOD-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 78.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.34
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?

The IUPAC name of N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (CID 71185228) is N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

What is the SMILES notation for N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?

The canonical SMILES for N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is Cc1cnc(C(CNC(=O)Cc2c[nH]c3ccc(O)cc23)c2cc(F)cc(F)c2)c(Br)c1.

What is the InChIKey of N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?

The InChIKey is LPLIETRCUSUOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrF2N3O2/c1-13-4-21(25)24(30-10-13)20(14-5-16(26)8-17(27)6-14)12-29-23(32)7-15-11-28-22-3-2-18(31)9-19(15)22/h2-6,8-11,20,28,31H,7,12H2,1H3,(H,29,32).

What are the key properties of N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?

N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 500.34 g/mol, XLogP of 5.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-bromo-5-methyl-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 71185228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).