N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C20H15F2N5O2 — CID 46857565

IUPACN-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O
InChIInChI=1S/C20H15F2N5O2/c1-12-2-5-15(22)8-16(12)24-19(28)10-26-20(29)18-9-17(25-27(18)11-23-26)13-3-6-14(21)7-4-13/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyLOLAPKDBIZLZPH-UHFFFAOYSA-N
MW395.37 g/mol
LogP2.78
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 46857565) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID46857565
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O
InChIInChI=1S/C20H15F2N5O2/c1-12-2-5-15(22)8-16(12)24-19(28)10-26-20(29)18-9-17(25-27(18)11-23-26)13-3-6-14(21)7-4-13/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyLOLAPKDBIZLZPH-UHFFFAOYSA-N
XLogP2.78
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279274
N-(3,4-difluorophenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857561
N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 50795616
N-(2-bromo-4-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926133
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329
N-ethyl-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-phenylacetamide
CID 29279203
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926077
N-(3,5-dichlorophenyl)-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926136
N-[4-(dimethylamino)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 50926054
2-[2-(3-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 56771119
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-methoxyethyl)acetamide
CID 50926067
N-[2-(dimethylamino)ethyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953520

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 46857565) is N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is Cc1ccc(F)cc1NC(=O)Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is LOLAPKDBIZLZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c1-12-2-5-15(22)8-16(12)24-19(28)10-26-20(29)18-9-17(25-27(18)11-23-26)13-3-6-14(21)7-4-13/h2-9,11H,10H2,1H3,(H,24,28).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 395.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 46857565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).