2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

C23H24F2N8O — CID 135998835

IUPAC2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESCc1ccc(-n2cncn2)c(CNC(=O)CN2C=CN/C(=N\CC(F)(F)c3ccccn3)C2)c1
InChIInChI=1S/C23H24F2N8O/c1-17-5-6-19(33-16-26-15-31-33)18(10-17)11-29-22(34)13-32-9-8-28-21(12-32)30-14-23(24,25)20-4-2-3-7-27-20/h2-10,15-16H,11-14H2,1H3,(H,28,30)(H,29,34)
InChIKeyDBOFDHWOVYKUFV-UHFFFAOYSA-N
MW466.50 g/mol
LogP2.15
Rot. Bonds8

About 2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 135998835) has the molecular formula C23H24F2N8O and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
PubChem CID135998835
Molecular FormulaC23H24F2N8O
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC Name2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESCc1ccc(-n2cncn2)c(CNC(=O)CN2C=CN/C(=N\CC(F)(F)c3ccccn3)C2)c1
InChIInChI=1S/C23H24F2N8O/c1-17-5-6-19(33-16-26-15-31-33)18(10-17)11-29-22(34)13-32-9-8-28-21(12-32)30-14-23(24,25)20-4-2-3-7-27-20/h2-10,15-16H,11-14H2,1H3,(H,28,30)(H,29,34)
InChIKeyDBOFDHWOVYKUFV-UHFFFAOYSA-N
XLogP2.15
TPSA100.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 135998835) is 2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is Cc1ccc(-n2cncn2)c(CNC(=O)CN2C=CN/C(=N\CC(F)(F)c3ccccn3)C2)c1.
What is the InChIKey of 2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is DBOFDHWOVYKUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O/c1-17-5-6-19(33-16-26-15-31-33)18(10-17)11-29-22(34)13-32-9-8-28-21(12-32)30-14-23(24,25)20-4-2-3-7-27-20/h2-10,15-16H,11-14H2,1H3,(H,28,30)(H,29,34).
What are the key properties of 2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 466.50 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 135998835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).