2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide

C23H23ClF5N5O2S — CID 162577902

About 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide

2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide (PubChem CID 162577902) has the molecular formula C23H23ClF5N5O2S and a molecular weight of 563.98 g/mol. Its IUPAC name is 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide
• PubChem CID: 162577902
• Molecular Formula: C23H23ClF5N5O2S
• Molecular Weight: 563.98 g/mol
• Exact Mass: 563.12
• IUPAC Name: 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide
• SMILES: CN1CC=CC=C1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ccccc2SCC(F)(F)F)c1=O
• InChI: InChI=1S/C23H23ClF5N5O2S/c1-33-9-5-4-8-17(33)22(25,26)13-32-20-21(36)34(18(24)11-31-20)12-19(35)30-10-15-6-2-3-7-16(15)37-14-23(27,28)29/h2-8,11H,9-10,12-14H2,1H3,(H,30,35)(H,31,32)
• InChIKey: OGIKKGYXUIEFNA-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.98
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide?

The IUPAC name of 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide (CID 162577902) is 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide.

What is the SMILES notation for 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide?

The canonical SMILES for 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide is CN1CC=CC=C1C(F)(F)CNc1ncc(Cl)n(CC(=O)NCc2ccccc2SCC(F)(F)F)c1=O.

What is the InChIKey of 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide?

The InChIKey is OGIKKGYXUIEFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF5N5O2S/c1-33-9-5-4-8-17(33)22(25,26)13-32-20-21(36)34(18(24)11-31-20)12-19(35)30-10-15-6-2-3-7-16(15)37-14-23(27,28)29/h2-8,11H,9-10,12-14H2,1H3,(H,30,35)(H,31,32).

What are the key properties of 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide?

2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide has a molecular weight of 563.98 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]acetamide is sourced from PubChem (CID 162577902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).